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

C27H43N3O2 — CID 42881072

IUPACN-(2-methylpropyl)-1-[1-(4-pentylbenzoyl)piperidin-4-yl]piperidine-4-carboxamide
SMILESCCCCCc1ccc(C(=O)N2CCC(N3CCC(C(=O)NCC(C)C)CC3)CC2)cc1
InChIInChI=1S/C27H43N3O2/c1-4-5-6-7-22-8-10-24(11-9-22)27(32)30-18-14-25(15-19-30)29-16-12-23(13-17-29)26(31)28-20-21(2)3/h8-11,21,23,25H,4-7,12-20H2,1-3H3,(H,28,31)
InChIKeyLAAKFHCMXFRBDA-UHFFFAOYSA-N
MW441.66 g/mol
LogP4.51
Rot. Bonds9

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

N-(2-methylpropyl)-1-[1-(4-pentylbenzoyl)piperidin-4-yl]piperidine-4-carboxamide (PubChem CID 42881072) has the molecular formula C27H43N3O2 and a molecular weight of 441.66 g/mol. Its IUPAC name is N-(2-methylpropyl)-1-[1-(4-pentylbenzoyl)piperidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-1-[1-(4-pentylbenzoyl)piperidin-4-yl]piperidine-4-carboxamide
PubChem CID42881072
Molecular FormulaC27H43N3O2
Molecular Weight441.66 g/mol
Exact Mass441.34
IUPAC NameN-(2-methylpropyl)-1-[1-(4-pentylbenzoyl)piperidin-4-yl]piperidine-4-carboxamide
SMILESCCCCCc1ccc(C(=O)N2CCC(N3CCC(C(=O)NCC(C)C)CC3)CC2)cc1
InChIInChI=1S/C27H43N3O2/c1-4-5-6-7-22-8-10-24(11-9-22)27(32)30-18-14-25(15-19-30)29-16-12-23(13-17-29)26(31)28-20-21(2)3/h8-11,21,23,25H,4-7,12-20H2,1-3H3,(H,28,31)
InChIKeyLAAKFHCMXFRBDA-UHFFFAOYSA-N
XLogP4.51
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.66
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2-methylpropyl)-1-[1-(4-pentylbenzoyl)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

[1-[1-(4-hexylbenzoyl)piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 42881294
N-(2-methylpropyl)-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]piperidine-4-carboxamide
CID 42693237
1-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-N-(3-methylbutyl)piperidine-4-carboxamide
CID 42881485
1-[4-(aminomethyl)benzoyl]-N-pentylpiperidine-4-carboxamide
CID 119287815
(4-butylphenyl)-[4-(2-methylpropyl)piperidin-1-yl]methanone
CID 90987266
1-(4-benzamidobenzoyl)-N-(2-methylpropyl)piperidine-4-carboxamide
CID 46384551
1-(1-hexanoylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-4-carboxamide
CID 42881318
1-(1-octanoylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-4-carboxamide
CID 42881314
(4-butylphenyl)-pyrrolidin-1-ylmethanone
CID 60674990
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[1-(4-methoxybenzoyl)piperidin-4-yl]piperidine-4-carboxamide
CID 42694886
1-(4-methoxybenzoyl)-N-pentylpiperidine-4-carboxamide
CID 113005591
N-butyl-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-4-carboxamide
CID 20973005

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-1-[1-(4-pentylbenzoyl)piperidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of N-(2-methylpropyl)-1-[1-(4-pentylbenzoyl)piperidin-4-yl]piperidine-4-carboxamide (CID 42881072) is N-(2-methylpropyl)-1-[1-(4-pentylbenzoyl)piperidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-1-[1-(4-pentylbenzoyl)piperidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-1-[1-(4-pentylbenzoyl)piperidin-4-yl]piperidine-4-carboxamide is CCCCCc1ccc(C(=O)N2CCC(N3CCC(C(=O)NCC(C)C)CC3)CC2)cc1.
What is the InChIKey of N-(2-methylpropyl)-1-[1-(4-pentylbenzoyl)piperidin-4-yl]piperidine-4-carboxamide?
The InChIKey is LAAKFHCMXFRBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H43N3O2/c1-4-5-6-7-22-8-10-24(11-9-22)27(32)30-18-14-25(15-19-30)29-16-12-23(13-17-29)26(31)28-20-21(2)3/h8-11,21,23,25H,4-7,12-20H2,1-3H3,(H,28,31).
What are the key properties of N-(2-methylpropyl)-1-[1-(4-pentylbenzoyl)piperidin-4-yl]piperidine-4-carboxamide?
N-(2-methylpropyl)-1-[1-(4-pentylbenzoyl)piperidin-4-yl]piperidine-4-carboxamide has a molecular weight of 441.66 g/mol, XLogP of 4.51, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-1-[1-(4-pentylbenzoyl)piperidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 42881072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).