1-benzoyl-N-(2-propan-2-yloxyethyl)piperidine-4-carboxamide

C18H26N2O3 — CID 110416664

IUPAC1-benzoyl-N-(2-propan-2-yloxyethyl)piperidine-4-carboxamide
SMILESCC(C)OCCNC(=O)C1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C18H26N2O3/c1-14(2)23-13-10-19-17(21)15-8-11-20(12-9-15)18(22)16-6-4-3-5-7-16/h3-7,14-15H,8-13H2,1-2H3,(H,19,21)
InChIKeyPILNXFSDRPJXNR-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.08
Rot. Bonds6

About 1-benzoyl-N-(2-propan-2-yloxyethyl)piperidine-4-carboxamide

1-benzoyl-N-(2-propan-2-yloxyethyl)piperidine-4-carboxamide (PubChem CID 110416664) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-benzoyl-N-(2-propan-2-yloxyethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzoyl-N-(2-propan-2-yloxyethyl)piperidine-4-carboxamide
PubChem CID110416664
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name1-benzoyl-N-(2-propan-2-yloxyethyl)piperidine-4-carboxamide
SMILESCC(C)OCCNC(=O)C1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C18H26N2O3/c1-14(2)23-13-10-19-17(21)15-8-11-20(12-9-15)18(22)16-6-4-3-5-7-16/h3-7,14-15H,8-13H2,1-2H3,(H,19,21)
InChIKeyPILNXFSDRPJXNR-UHFFFAOYSA-N
XLogP2.08
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methoxybenzoyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 94180810
1-benzoyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide
CID 120830387
1-(3-benzamidobenzoyl)-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 46387291
1-benzoyl-N-[2-(4-ethylpiperazin-1-yl)ethyl]piperidine-4-carboxamide
CID 154800157
1-phenyl-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 17152501
1-(2-phenoxyacetyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 55635182
1-benzoyl-N-[2-(4-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide
CID 110301812
1-(4-benzamidobenzoyl)-N-(2-methylpropyl)piperidine-4-carboxamide
CID 46384551
1-benzoyl-N-(2-cyclopentyl-2-hydroxyethyl)piperidine-4-carboxamide
CID 71991151
(2S)-2-[(1-benzoylpiperidine-4-carbonyl)amino]propanoic acid
CID 119238348
1-benzoyl-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 110298322
1-benzoyl-N-[(2S)-pentan-2-yl]piperidine-4-carboxamide
CID 41024910

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-N-(2-propan-2-yloxyethyl)piperidine-4-carboxamide?
The IUPAC name of 1-benzoyl-N-(2-propan-2-yloxyethyl)piperidine-4-carboxamide (CID 110416664) is 1-benzoyl-N-(2-propan-2-yloxyethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-benzoyl-N-(2-propan-2-yloxyethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-benzoyl-N-(2-propan-2-yloxyethyl)piperidine-4-carboxamide is CC(C)OCCNC(=O)C1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of 1-benzoyl-N-(2-propan-2-yloxyethyl)piperidine-4-carboxamide?
The InChIKey is PILNXFSDRPJXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-14(2)23-13-10-19-17(21)15-8-11-20(12-9-15)18(22)16-6-4-3-5-7-16/h3-7,14-15H,8-13H2,1-2H3,(H,19,21).
What are the key properties of 1-benzoyl-N-(2-propan-2-yloxyethyl)piperidine-4-carboxamide?
1-benzoyl-N-(2-propan-2-yloxyethyl)piperidine-4-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-N-(2-propan-2-yloxyethyl)piperidine-4-carboxamide is sourced from PubChem (CID 110416664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).