4-[[2-(benzylamino)-2-oxoethyl]amino]piperidine-1-carboxamide

C15H22N4O2 — CID 60972447

IUPAC4-[[2-(benzylamino)-2-oxoethyl]amino]piperidine-1-carboxamide
SMILESNC(=O)N1CCC(NCC(=O)NCc2ccccc2)CC1
InChIInChI=1S/C15H22N4O2/c16-15(21)19-8-6-13(7-9-19)17-11-14(20)18-10-12-4-2-1-3-5-12/h1-5,13,17H,6-11H2,(H2,16,21)(H,18,20)
InChIKeyKDNRTXPTOLDSQA-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.44
Rot. Bonds5

About 4-[[2-(benzylamino)-2-oxoethyl]amino]piperidine-1-carboxamide

4-[[2-(benzylamino)-2-oxoethyl]amino]piperidine-1-carboxamide (PubChem CID 60972447) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 4-[[2-(benzylamino)-2-oxoethyl]amino]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[[2-(benzylamino)-2-oxoethyl]amino]piperidine-1-carboxamide
PubChem CID60972447
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name4-[[2-(benzylamino)-2-oxoethyl]amino]piperidine-1-carboxamide
SMILESNC(=O)N1CCC(NCC(=O)NCc2ccccc2)CC1
InChIInChI=1S/C15H22N4O2/c16-15(21)19-8-6-13(7-9-19)17-11-14(20)18-10-12-4-2-1-3-5-12/h1-5,13,17H,6-11H2,(H2,16,21)(H,18,20)
InChIKeyKDNRTXPTOLDSQA-UHFFFAOYSA-N
XLogP0.44
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(benzylamino)piperidine-1-carboxamide
CID 43757030
N-benzyl-2-(cyclopentylamino)acetamide
CID 43084459
N-benzyl-2-[(4-hydroxycyclohexyl)amino]acetamide
CID 103601287
N-benzyl-2-[(1-ethylazepan-4-yl)amino]acetamide
CID 65073911
benzyl 4-(benzylamino)piperidine-1-carboxylate
CID 44828828
4-(pyridin-4-ylmethylamino)piperidine-1-carboxamide
CID 43769393
benzyl 4-[(2-methoxy-2-oxoethyl)amino]piperidine-1-carboxylate
CID 163554835
4-[(2-amino-2-oxoethyl)amino]piperidine-1-carboxamide
CID 43754739
2-[[(3R)-1-phenylmethoxycarbonylpyrrolidin-3-yl]amino]acetic acid
CID 66564221
N-benzyl-2-[(1,5-dimethylpyrrolidin-3-yl)amino]acetamide
CID 81333096
2-(cyclopropylamino)-N-[(4-fluorophenyl)methyl]acetamide
CID 60647225
3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-benzylpropanamide
CID 110920492

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(benzylamino)-2-oxoethyl]amino]piperidine-1-carboxamide?
The IUPAC name of 4-[[2-(benzylamino)-2-oxoethyl]amino]piperidine-1-carboxamide (CID 60972447) is 4-[[2-(benzylamino)-2-oxoethyl]amino]piperidine-1-carboxamide.
What is the SMILES notation for 4-[[2-(benzylamino)-2-oxoethyl]amino]piperidine-1-carboxamide?
The canonical SMILES for 4-[[2-(benzylamino)-2-oxoethyl]amino]piperidine-1-carboxamide is NC(=O)N1CCC(NCC(=O)NCc2ccccc2)CC1.
What is the InChIKey of 4-[[2-(benzylamino)-2-oxoethyl]amino]piperidine-1-carboxamide?
The InChIKey is KDNRTXPTOLDSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c16-15(21)19-8-6-13(7-9-19)17-11-14(20)18-10-12-4-2-1-3-5-12/h1-5,13,17H,6-11H2,(H2,16,21)(H,18,20).
What are the key properties of 4-[[2-(benzylamino)-2-oxoethyl]amino]piperidine-1-carboxamide?
4-[[2-(benzylamino)-2-oxoethyl]amino]piperidine-1-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 0.44, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(benzylamino)-2-oxoethyl]amino]piperidine-1-carboxamide is sourced from PubChem (CID 60972447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).