N-[1-(2-phenylbutanoyl)piperidin-4-yl]piperidine-4-carboxamide

C21H31N3O2 — CID 119311950

IUPACN-[1-(2-phenylbutanoyl)piperidin-4-yl]piperidine-4-carboxamide
SMILESCCC(C(=O)N1CCC(NC(=O)C2CCNCC2)CC1)c1ccccc1
InChIInChI=1S/C21H31N3O2/c1-2-19(16-6-4-3-5-7-16)21(26)24-14-10-18(11-15-24)23-20(25)17-8-12-22-13-9-17/h3-7,17-19,22H,2,8-15H2,1H3,(H,23,25)
InChIKeyUORNMGGBNSBPGD-UHFFFAOYSA-N
MW357.50 g/mol
LogP2.29
Rot. Bonds5

About N-[1-(2-phenylbutanoyl)piperidin-4-yl]piperidine-4-carboxamide

N-[1-(2-phenylbutanoyl)piperidin-4-yl]piperidine-4-carboxamide (PubChem CID 119311950) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is N-[1-(2-phenylbutanoyl)piperidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2-phenylbutanoyl)piperidin-4-yl]piperidine-4-carboxamide
PubChem CID119311950
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC NameN-[1-(2-phenylbutanoyl)piperidin-4-yl]piperidine-4-carboxamide
SMILESCCC(C(=O)N1CCC(NC(=O)C2CCNCC2)CC1)c1ccccc1
InChIInChI=1S/C21H31N3O2/c1-2-19(16-6-4-3-5-7-16)21(26)24-14-10-18(11-15-24)23-20(25)17-8-12-22-13-9-17/h3-7,17-19,22H,2,8-15H2,1H3,(H,23,25)
InChIKeyUORNMGGBNSBPGD-UHFFFAOYSA-N
XLogP2.29
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[1-(2-phenylbutanoyl)piperidin-4-yl]piperidine-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

3-amino-N-[1-(2-phenylbutanoyl)piperidin-4-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119763637
3-amino-N-[1-(2-phenylbutanoyl)piperidin-4-yl]cyclohexane-1-carboxamide
CID 119763642
(1S,6R)-N-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]bicyclo[4.1.0]heptane-7-carboxamide
CID 95906118
N-methyl-1-(2-phenylbutanoyl)piperidine-4-carboxamide
CID 43064111
1-ethyl-3-[1-[(2R)-2-phenylbutanoyl]piperidin-4-yl]urea
CID 95303034
2-phenyl-N-piperidin-4-ylbutanamide;hydrochloride
CID 119389366
3-amino-3-phenyl-N-[1-(2-phenylbutanoyl)piperidin-4-yl]propanamide
CID 119950959
N-[1-(2-phenylbutanoyl)piperidin-4-yl]-3-piperidin-3-ylbutanamide
CID 119763648
2-(cyclopropylmethylamino)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]acetamide;hydrochloride
CID 119763651
N-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide
CID 124628014
2-amino-3-methoxy-N-[1-(2-phenylbutanoyl)piperidin-4-yl]propanamide
CID 120988219
N-[1-(2-phenylbutanoyl)piperidin-4-yl]furan-2-carboxamide
CID 51102722

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-phenylbutanoyl)piperidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of N-[1-(2-phenylbutanoyl)piperidin-4-yl]piperidine-4-carboxamide (CID 119311950) is N-[1-(2-phenylbutanoyl)piperidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-[1-(2-phenylbutanoyl)piperidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for N-[1-(2-phenylbutanoyl)piperidin-4-yl]piperidine-4-carboxamide is CCC(C(=O)N1CCC(NC(=O)C2CCNCC2)CC1)c1ccccc1.
What is the InChIKey of N-[1-(2-phenylbutanoyl)piperidin-4-yl]piperidine-4-carboxamide?
The InChIKey is UORNMGGBNSBPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-2-19(16-6-4-3-5-7-16)21(26)24-14-10-18(11-15-24)23-20(25)17-8-12-22-13-9-17/h3-7,17-19,22H,2,8-15H2,1H3,(H,23,25).
What are the key properties of N-[1-(2-phenylbutanoyl)piperidin-4-yl]piperidine-4-carboxamide?
N-[1-(2-phenylbutanoyl)piperidin-4-yl]piperidine-4-carboxamide has a molecular weight of 357.50 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-phenylbutanoyl)piperidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 119311950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).