N-(5-cyano-2-methylphenyl)-4-propylpiperidine-4-carboxamide

C17H23N3O — CID 63129014

IUPACN-(5-cyano-2-methylphenyl)-4-propylpiperidine-4-carboxamide
SMILESCCCC1(C(=O)Nc2cc(C#N)ccc2C)CCNCC1
InChIInChI=1S/C17H23N3O/c1-3-6-17(7-9-19-10-8-17)16(21)20-15-11-14(12-18)5-4-13(15)2/h4-5,11,19H,3,6-10H2,1-2H3,(H,20,21)
InChIKeyUKTLWTHROMDDRR-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.98
Rot. Bonds4

About N-(5-cyano-2-methylphenyl)-4-propylpiperidine-4-carboxamide

N-(5-cyano-2-methylphenyl)-4-propylpiperidine-4-carboxamide (PubChem CID 63129014) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-(5-cyano-2-methylphenyl)-4-propylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-cyano-2-methylphenyl)-4-propylpiperidine-4-carboxamide
PubChem CID63129014
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-(5-cyano-2-methylphenyl)-4-propylpiperidine-4-carboxamide
SMILESCCCC1(C(=O)Nc2cc(C#N)ccc2C)CCNCC1
InChIInChI=1S/C17H23N3O/c1-3-6-17(7-9-19-10-8-17)16(21)20-15-11-14(12-18)5-4-13(15)2/h4-5,11,19H,3,6-10H2,1-2H3,(H,20,21)
InChIKeyUKTLWTHROMDDRR-UHFFFAOYSA-N
XLogP2.98
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanophenyl)-4-propylpiperidine-4-carboxamide
CID 63127309
N-(5-cyano-2-methylphenyl)-1-methylcyclopentane-1-carboxamide
CID 78981313
N-(5-cyano-2-methylphenyl)-1-methylcyclohexane-1-carboxamide
CID 105002347
N-(5-bromo-4-fluoro-2-methylphenyl)-4-propylpiperidine-4-carboxamide
CID 107592306
N-(cyanomethyl)-4-propylpiperidine-4-carboxamide
CID 63129150
3-(5-cyano-2-methylphenyl)-1,1-diethylurea
CID 78983855
2-(1-aminocyclopentyl)-N-(5-cyano-2-methylphenyl)acetamide
CID 64679673
4-amino-N-(5-cyano-2-methylphenyl)-3-methyloxolane-3-carboxamide
CID 66264173
N-(5-cyano-2-methylphenyl)-2,2-dimethylbutanamide
CID 62678428
N-(4-chlorophenyl)-4-propylpiperidine-4-carboxamide
CID 63127290
N-(4-bromophenyl)-4-propylpiperidine-4-carboxamide
CID 63127331
methyl N-(5-cyano-2-methylphenyl)carbamate
CID 62065723

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-2-methylphenyl)-4-propylpiperidine-4-carboxamide?
The IUPAC name of N-(5-cyano-2-methylphenyl)-4-propylpiperidine-4-carboxamide (CID 63129014) is N-(5-cyano-2-methylphenyl)-4-propylpiperidine-4-carboxamide.
What is the SMILES notation for N-(5-cyano-2-methylphenyl)-4-propylpiperidine-4-carboxamide?
The canonical SMILES for N-(5-cyano-2-methylphenyl)-4-propylpiperidine-4-carboxamide is CCCC1(C(=O)Nc2cc(C#N)ccc2C)CCNCC1.
What is the InChIKey of N-(5-cyano-2-methylphenyl)-4-propylpiperidine-4-carboxamide?
The InChIKey is UKTLWTHROMDDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-3-6-17(7-9-19-10-8-17)16(21)20-15-11-14(12-18)5-4-13(15)2/h4-5,11,19H,3,6-10H2,1-2H3,(H,20,21).
What are the key properties of N-(5-cyano-2-methylphenyl)-4-propylpiperidine-4-carboxamide?
N-(5-cyano-2-methylphenyl)-4-propylpiperidine-4-carboxamide has a molecular weight of 285.39 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-2-methylphenyl)-4-propylpiperidine-4-carboxamide is sourced from PubChem (CID 63129014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).