N-cyclopropyl-1-(furan-2-carbonyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide

C23H27N3O4 — CID 33354399

IUPACN-cyclopropyl-1-(furan-2-carbonyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide
SMILESCNC(=O)c1ccc(CN(C(=O)C2CCN(C(=O)c3ccco3)CC2)C2CC2)cc1
InChIInChI=1S/C23H27N3O4/c1-24-21(27)17-6-4-16(5-7-17)15-26(19-8-9-19)22(28)18-10-12-25(13-11-18)23(29)20-3-2-14-30-20/h2-7,14,18-19H,8-13,15H2,1H3,(H,24,27)
InChIKeyPTYSUNBCYLOWLB-UHFFFAOYSA-N
MW409.49 g/mol
LogP2.68
Rot. Bonds6

About N-cyclopropyl-1-(furan-2-carbonyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide

N-cyclopropyl-1-(furan-2-carbonyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide (PubChem CID 33354399) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-cyclopropyl-1-(furan-2-carbonyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-(furan-2-carbonyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide
PubChem CID33354399
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC NameN-cyclopropyl-1-(furan-2-carbonyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide
SMILESCNC(=O)c1ccc(CN(C(=O)C2CCN(C(=O)c3ccco3)CC2)C2CC2)cc1
InChIInChI=1S/C23H27N3O4/c1-24-21(27)17-6-4-16(5-7-17)15-26(19-8-9-19)22(28)18-10-12-25(13-11-18)23(29)20-3-2-14-30-20/h2-7,14,18-19H,8-13,15H2,1H3,(H,24,27)
InChIKeyPTYSUNBCYLOWLB-UHFFFAOYSA-N
XLogP2.68
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-cyclopropyl-1-(furan-2-carbonyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide with MolForge

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Related Compounds

N-cyclopropyl-N-[(4-fluorophenyl)methyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 17477799
methyl 2-[(4-chlorophenyl)methyl-[1-(furan-2-carbonyl)piperidine-4-carbonyl]amino]acetate
CID 55802914
1-(furan-2-carbonyl)-N-methoxy-N-methylpiperidine-4-carboxamide
CID 78814076
N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 46410310
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 55395534
N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-methylbenzamide
CID 16613592
4-[[benzoyl(cyclopropyl)amino]methyl]-N-methylbenzamide
CID 33351912
N-cyclopropyl-1-(furan-3-carbonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 35734927
N-cyclopropyl-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113158366
N-[4-[(4-fluorobenzoyl)-[(3-methylphenyl)methyl]amino]cyclohexyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 46105694
[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl] 1-(furan-2-carbonyl)piperidine-4-carboxylate
CID 46609950
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 51211332

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(furan-2-carbonyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-(furan-2-carbonyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide (CID 33354399) is N-cyclopropyl-1-(furan-2-carbonyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-(furan-2-carbonyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-(furan-2-carbonyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide is CNC(=O)c1ccc(CN(C(=O)C2CCN(C(=O)c3ccco3)CC2)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-1-(furan-2-carbonyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is PTYSUNBCYLOWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-24-21(27)17-6-4-16(5-7-17)15-26(19-8-9-19)22(28)18-10-12-25(13-11-18)23(29)20-3-2-14-30-20/h2-7,14,18-19H,8-13,15H2,1H3,(H,24,27).
What are the key properties of N-cyclopropyl-1-(furan-2-carbonyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide?
N-cyclopropyl-1-(furan-2-carbonyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(furan-2-carbonyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 33354399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).