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

C21H25N3O2 — CID 24565100

IUPAC1-[2-(N-benzylanilino)-2-oxoethyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CC(=O)N(Cc2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C21H25N3O2/c22-21(26)18-11-13-23(14-12-18)16-20(25)24(19-9-5-2-6-10-19)15-17-7-3-1-4-8-17/h1-10,18H,11-16H2,(H2,22,26)
InChIKeyWRQBPCOCXHRNID-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.42
Rot. Bonds6

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

1-[2-(N-benzylanilino)-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 24565100) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 1-[2-(N-benzylanilino)-2-oxoethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(N-benzylanilino)-2-oxoethyl]piperidine-4-carboxamide
PubChem CID24565100
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name1-[2-(N-benzylanilino)-2-oxoethyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CC(=O)N(Cc2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C21H25N3O2/c22-21(26)18-11-13-23(14-12-18)16-20(25)24(19-9-5-2-6-10-19)15-17-7-3-1-4-8-17/h1-10,18H,11-16H2,(H2,22,26)
InChIKeyWRQBPCOCXHRNID-UHFFFAOYSA-N
XLogP2.42
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-phenylacetamide
CID 111123187
N-benzyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-phenylacetamide
CID 52659816
2-[1-[2-(N-benzyl-4-bromoanilino)-2-oxoethyl]piperidin-4-yl]acetic acid
CID 112707407
N-benzyl-2-[4-[2-(N-benzylanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 24596417
N-benzyl-3-(4-methylpiperidin-1-yl)-N-phenylpropanamide
CID 109014601
N-benzyl-N-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 57062888
4-[4-[2-(N-benzylanilino)-2-oxoethyl]piperazin-1-yl]benzoic acid
CID 20680479
N-benzyl-2-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-N-phenylacetamide
CID 51133968
1-[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 8530730
1-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 8530726
2-[4-[2-(N-benzylanilino)-2-oxoethyl]piperazin-1-yl]-N-butan-2-ylacetamide
CID 55566381
N-benzyl-2-(1-methylpiperidin-4-yl)-N-phenylacetamide
CID 110754688

Frequently Asked Questions

What is the IUPAC name of 1-[2-(N-benzylanilino)-2-oxoethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(N-benzylanilino)-2-oxoethyl]piperidine-4-carboxamide (CID 24565100) is 1-[2-(N-benzylanilino)-2-oxoethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(N-benzylanilino)-2-oxoethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(N-benzylanilino)-2-oxoethyl]piperidine-4-carboxamide is NC(=O)C1CCN(CC(=O)N(Cc2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-[2-(N-benzylanilino)-2-oxoethyl]piperidine-4-carboxamide?
The InChIKey is WRQBPCOCXHRNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c22-21(26)18-11-13-23(14-12-18)16-20(25)24(19-9-5-2-6-10-19)15-17-7-3-1-4-8-17/h1-10,18H,11-16H2,(H2,22,26).
What are the key properties of 1-[2-(N-benzylanilino)-2-oxoethyl]piperidine-4-carboxamide?
1-[2-(N-benzylanilino)-2-oxoethyl]piperidine-4-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(N-benzylanilino)-2-oxoethyl]piperidine-4-carboxamide is sourced from PubChem (CID 24565100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).