N-benzyl-1-[2-(butylamino)-2-oxoethyl]piperidine-4-carboxamide

C19H29N3O2 — CID 27107050

IUPACN-benzyl-1-[2-(butylamino)-2-oxoethyl]piperidine-4-carboxamide
SMILESCCCCNC(=O)CN1CCC(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C19H29N3O2/c1-2-3-11-20-18(23)15-22-12-9-17(10-13-22)19(24)21-14-16-7-5-4-6-8-16/h4-8,17H,2-3,9-15H2,1H3,(H,20,23)(H,21,24)
InChIKeyRODXGKAGDCPYQA-UHFFFAOYSA-N
MW331.46 g/mol
LogP1.93
Rot. Bonds8

About N-benzyl-1-[2-(butylamino)-2-oxoethyl]piperidine-4-carboxamide

N-benzyl-1-[2-(butylamino)-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 27107050) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-benzyl-1-[2-(butylamino)-2-oxoethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[2-(butylamino)-2-oxoethyl]piperidine-4-carboxamide
PubChem CID27107050
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC NameN-benzyl-1-[2-(butylamino)-2-oxoethyl]piperidine-4-carboxamide
SMILESCCCCNC(=O)CN1CCC(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C19H29N3O2/c1-2-3-11-20-18(23)15-22-12-9-17(10-13-22)19(24)21-14-16-7-5-4-6-8-16/h4-8,17H,2-3,9-15H2,1H3,(H,20,23)(H,21,24)
InChIKeyRODXGKAGDCPYQA-UHFFFAOYSA-N
XLogP1.93
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 26653754
1-[2-(benzylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 52682822
N-benzyl-1-[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 41415384
N-benzyl-1-[2-(cyclohexylmethylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 86909124
1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-N-propylpiperidine-4-carboxamide
CID 134046327
1-benzyl-N-pentylpiperidine-4-carboxamide
CID 45011479
N-(3-methoxypropyl)-1-[2-oxo-2-(2-phenylethylamino)ethyl]piperidine-4-carboxamide
CID 55909398
N-[(4-fluorophenyl)methyl]-1-[2-(3-methoxypropylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 78902359
1-[2-oxo-2-(3-phenylpropylamino)ethyl]piperidine-4-carboxylic acid
CID 119908236
N-butyl-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]acetamide
CID 110883979
1-(benzylcarbamothioyl)-N-pentylpiperidine-4-carboxamide
CID 43076523
1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 55837389

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[2-(butylamino)-2-oxoethyl]piperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-[2-(butylamino)-2-oxoethyl]piperidine-4-carboxamide (CID 27107050) is N-benzyl-1-[2-(butylamino)-2-oxoethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-[2-(butylamino)-2-oxoethyl]piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-[2-(butylamino)-2-oxoethyl]piperidine-4-carboxamide is CCCCNC(=O)CN1CCC(C(=O)NCc2ccccc2)CC1.
What is the InChIKey of N-benzyl-1-[2-(butylamino)-2-oxoethyl]piperidine-4-carboxamide?
The InChIKey is RODXGKAGDCPYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-2-3-11-20-18(23)15-22-12-9-17(10-13-22)19(24)21-14-16-7-5-4-6-8-16/h4-8,17H,2-3,9-15H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N-benzyl-1-[2-(butylamino)-2-oxoethyl]piperidine-4-carboxamide?
N-benzyl-1-[2-(butylamino)-2-oxoethyl]piperidine-4-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 1.93, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[2-(butylamino)-2-oxoethyl]piperidine-4-carboxamide is sourced from PubChem (CID 27107050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).