N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]-3-(3-piperidin-1-ylpropanoylamino)propanamide

C34H50ClN7O3 — CID 10146090

IUPACN-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]-3-(3-piperidin-1-ylpropanoylamino)propanamide
SMILESO=C(CCN1CCCCC1)NCCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(C2CCCCC2)CC1
InChIInChI=1S/C34H50ClN7O3/c35-29-11-9-27(10-12-29)23-30(39-32(44)13-17-37-31(43)14-20-40-18-5-2-6-19-40)33(45)41-21-15-34(16-22-41,24-42-26-36-25-38-42)28-7-3-1-4-8-28/h9-12,25-26,28,30H,1-8,13-24H2,(H,37,43)(H,39,44)/t30-/m1/s1
InChIKeyCDOZOPYVRWCAHF-SSEXGKCCSA-N
MW640.27 g/mol
LogP4.23
Rot. Bonds13

About N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]-3-(3-piperidin-1-ylpropanoylamino)propanamide

N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]-3-(3-piperidin-1-ylpropanoylamino)propanamide (PubChem CID 10146090) has the molecular formula C34H50ClN7O3 and a molecular weight of 640.27 g/mol. Its IUPAC name is N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]-3-(3-piperidin-1-ylpropanoylamino)propanamide.

Molecular Properties

Compound NameN-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]-3-(3-piperidin-1-ylpropanoylamino)propanamide
PubChem CID10146090
Molecular FormulaC34H50ClN7O3
Molecular Weight640.27 g/mol
Exact Mass639.37
IUPAC NameN-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]-3-(3-piperidin-1-ylpropanoylamino)propanamide
SMILESO=C(CCN1CCCCC1)NCCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(C2CCCCC2)CC1
InChIInChI=1S/C34H50ClN7O3/c35-29-11-9-27(10-12-29)23-30(39-32(44)13-17-37-31(43)14-20-40-18-5-2-6-19-40)33(45)41-21-15-34(16-22-41,24-42-26-36-25-38-42)28-7-3-1-4-8-28/h9-12,25-26,28,30H,1-8,13-24H2,(H,37,43)(H,39,44)/t30-/m1/s1
InChIKeyCDOZOPYVRWCAHF-SSEXGKCCSA-N
XLogP4.23
TPSA112.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500640.27
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]-3-(3-piperidin-1-ylpropanoylamino)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]-3-(3-piperidin-1-ylpropanoylamino)propanamide?
The IUPAC name of N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]-3-(3-piperidin-1-ylpropanoylamino)propanamide (CID 10146090) is N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]-3-(3-piperidin-1-ylpropanoylamino)propanamide.
What is the SMILES notation for N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]-3-(3-piperidin-1-ylpropanoylamino)propanamide?
The canonical SMILES for N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]-3-(3-piperidin-1-ylpropanoylamino)propanamide is O=C(CCN1CCCCC1)NCCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(C2CCCCC2)CC1.
What is the InChIKey of N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]-3-(3-piperidin-1-ylpropanoylamino)propanamide?
The InChIKey is CDOZOPYVRWCAHF-SSEXGKCCSA-N. The full InChI is InChI=1S/C34H50ClN7O3/c35-29-11-9-27(10-12-29)23-30(39-32(44)13-17-37-31(43)14-20-40-18-5-2-6-19-40)33(45)41-21-15-34(16-22-41,24-42-26-36-25-38-42)28-7-3-1-4-8-28/h9-12,25-26,28,30H,1-8,13-24H2,(H,37,43)(H,39,44)/t30-/m1/s1.
What are the key properties of N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]-3-(3-piperidin-1-ylpropanoylamino)propanamide?
N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]-3-(3-piperidin-1-ylpropanoylamino)propanamide has a molecular weight of 640.27 g/mol, XLogP of 4.23, 13 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]-3-(3-piperidin-1-ylpropanoylamino)propanamide is sourced from PubChem (CID 10146090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).