N-[2-[[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoyl-methylamino]ethyl]propanamide;1-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-(1-pyridin-3-ylethyl)urea;N-[2-[[5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoylamino]ethyl]-N-methylacetamide

C80H93FN14O8 — CID 87728099

IUPACN-[2-[[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoyl-methylamino]ethyl]propanamide;1-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-(1-pyridin-3-ylethyl)urea;N-[2-[[5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoylamino]ethyl]-N-methylacetamide
SMILESCC(=O)N(C)CCNC(=O)Nc1cc(C(=O)N2CCC(c3ccc(F)cc3)CC2)ccc1C.CCC(=O)NCCN(C)C(=O)Nc1cc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)ccc1C.Cc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1NC(=O)NC(C)c1cccnc1
InChIInChI=1S/C28H29N5O2.C27H33N5O3.C25H31FN4O3/c1-19-5-8-24(16-26(19)32-28(35)31-20(2)25-4-3-13-30-18-25)27(34)33-14-11-23(12-15-33)22-9-6-21(17-29)7-10-22;1-4-25(33)29-13-16-31(3)27(35)30-24-17-23(8-5-19(24)2)26(34)32-14-11-22(12-15-32)21-9-6-20(18-28)7-10-21;1-17-4-5-21(16-23(17)28-25(33)27-12-15-29(3)18(2)31)24(32)30-13-10-20(11-14-30)19-6-8-22(26)9-7-19/h3-10,13,16,18,20,23H,11-12,14-15H2,1-2H3,(H2,31,32,35);5-10,17,22H,4,11-16H2,1-3H3,(H,29,33)(H,30,35);4-9,16,20H,10-15H2,1-3H3,(H2,27,28,33)
InChIKeyDKVDGCZSYVTQRR-UHFFFAOYSA-N
MW1397.71 g/mol
LogP12.79
Rot. Bonds18

About N-[2-[[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoyl-methylamino]ethyl]propanamide;1-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-(1-pyridin-3-ylethyl)urea;N-[2-[[5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoylamino]ethyl]-N-methylacetamide

N-[2-[[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoyl-methylamino]ethyl]propanamide;1-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-(1-pyridin-3-ylethyl)urea;N-[2-[[5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoylamino]ethyl]-N-methylacetamide (PubChem CID 87728099) has the molecular formula C80H93FN14O8 and a molecular weight of 1397.71 g/mol. Its IUPAC name is N-[2-[[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoyl-methylamino]ethyl]propanamide;1-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-(1-pyridin-3-ylethyl)urea;N-[2-[[5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoylamino]ethyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[2-[[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoyl-methylamino]ethyl]propanamide;1-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-(1-pyridin-3-ylethyl)urea;N-[2-[[5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoylamino]ethyl]-N-methylacetamide
PubChem CID87728099
Molecular FormulaC80H93FN14O8
Molecular Weight1397.71 g/mol
Exact Mass1396.73
IUPAC NameN-[2-[[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoyl-methylamino]ethyl]propanamide;1-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-(1-pyridin-3-ylethyl)urea;N-[2-[[5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoylamino]ethyl]-N-methylacetamide
SMILESCC(=O)N(C)CCNC(=O)Nc1cc(C(=O)N2CCC(c3ccc(F)cc3)CC2)ccc1C.CCC(=O)NCCN(C)C(=O)Nc1cc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)ccc1C.Cc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1NC(=O)NC(C)c1cccnc1
InChIInChI=1S/C28H29N5O2.C27H33N5O3.C25H31FN4O3/c1-19-5-8-24(16-26(19)32-28(35)31-20(2)25-4-3-13-30-18-25)27(34)33-14-11-23(12-15-33)22-9-6-21(17-29)7-10-22;1-4-25(33)29-13-16-31(3)27(35)30-24-17-23(8-5-19(24)2)26(34)32-14-11-22(12-15-32)21-9-6-20(18-28)7-10-21;1-17-4-5-21(16-23(17)28-25(33)27-12-15-29(3)18(2)31)24(32)30-13-10-20(11-14-30)19-6-8-22(26)9-7-19/h3-10,13,16,18,20,23H,11-12,14-15H2,1-2H3,(H2,31,32,35);5-10,17,22H,4,11-16H2,1-3H3,(H,29,33)(H,30,35);4-9,16,20H,10-15H2,1-3H3,(H2,27,28,33)
InChIKeyDKVDGCZSYVTQRR-UHFFFAOYSA-N
XLogP12.79
TPSA285.41 Ų
H-Bond Donors6
H-Bond Acceptors11
Rotatable Bonds18
Heavy Atoms103
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001397.71
LogP ≤ 512.79
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1011

Analyze N-[2-[[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoyl-methylamino]ethyl]propanamide;1-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-(1-pyridin-3-ylethyl)urea;N-[2-[[5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoylamino]ethyl]-N-methylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoyl-methylamino]ethyl]propanamide;1-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-(1-pyridin-3-ylethyl)urea;N-[2-[[5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoylamino]ethyl]-N-methylacetamide?
The IUPAC name of N-[2-[[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoyl-methylamino]ethyl]propanamide;1-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-(1-pyridin-3-ylethyl)urea;N-[2-[[5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoylamino]ethyl]-N-methylacetamide (CID 87728099) is N-[2-[[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoyl-methylamino]ethyl]propanamide;1-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-(1-pyridin-3-ylethyl)urea;N-[2-[[5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoylamino]ethyl]-N-methylacetamide.
What is the SMILES notation for N-[2-[[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoyl-methylamino]ethyl]propanamide;1-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-(1-pyridin-3-ylethyl)urea;N-[2-[[5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoylamino]ethyl]-N-methylacetamide?
The canonical SMILES for N-[2-[[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoyl-methylamino]ethyl]propanamide;1-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-(1-pyridin-3-ylethyl)urea;N-[2-[[5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoylamino]ethyl]-N-methylacetamide is CC(=O)N(C)CCNC(=O)Nc1cc(C(=O)N2CCC(c3ccc(F)cc3)CC2)ccc1C.CCC(=O)NCCN(C)C(=O)Nc1cc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)ccc1C.Cc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1NC(=O)NC(C)c1cccnc1.
What is the InChIKey of N-[2-[[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoyl-methylamino]ethyl]propanamide;1-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-(1-pyridin-3-ylethyl)urea;N-[2-[[5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoylamino]ethyl]-N-methylacetamide?
The InChIKey is DKVDGCZSYVTQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O2.C27H33N5O3.C25H31FN4O3/c1-19-5-8-24(16-26(19)32-28(35)31-20(2)25-4-3-13-30-18-25)27(34)33-14-11-23(12-15-33)22-9-6-21(17-29)7-10-22;1-4-25(33)29-13-16-31(3)27(35)30-24-17-23(8-5-19(24)2)26(34)32-14-11-22(12-15-32)21-9-6-20(18-28)7-10-21;1-17-4-5-21(16-23(17)28-25(33)27-12-15-29(3)18(2)31)24(32)30-13-10-20(11-14-30)19-6-8-22(26)9-7-19/h3-10,13,16,18,20,23H,11-12,14-15H2,1-2H3,(H2,31,32,35);5-10,17,22H,4,11-16H2,1-3H3,(H,29,33)(H,30,35);4-9,16,20H,10-15H2,1-3H3,(H2,27,28,33).
What are the key properties of N-[2-[[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoyl-methylamino]ethyl]propanamide;1-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-(1-pyridin-3-ylethyl)urea;N-[2-[[5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoylamino]ethyl]-N-methylacetamide?
N-[2-[[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoyl-methylamino]ethyl]propanamide;1-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-(1-pyridin-3-ylethyl)urea;N-[2-[[5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoylamino]ethyl]-N-methylacetamide has a molecular weight of 1397.71 g/mol, XLogP of 12.79, 18 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoyl-methylamino]ethyl]propanamide;1-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-(1-pyridin-3-ylethyl)urea;N-[2-[[5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoylamino]ethyl]-N-methylacetamide is sourced from PubChem (CID 87728099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).