1-benzyl-4-(2-methylpropylamino)piperidine-4-carboxamide

C17H27N3O — CID 60995368

IUPAC1-benzyl-4-(2-methylpropylamino)piperidine-4-carboxamide
SMILESCC(C)CNC1(C(N)=O)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H27N3O/c1-14(2)12-19-17(16(18)21)8-10-20(11-9-17)13-15-6-4-3-5-7-15/h3-7,14,19H,8-13H2,1-2H3,(H2,18,21)
InChIKeyAHFDACMRFKYEPK-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.75
Rot. Bonds6

About 1-benzyl-4-(2-methylpropylamino)piperidine-4-carboxamide

1-benzyl-4-(2-methylpropylamino)piperidine-4-carboxamide (PubChem CID 60995368) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-benzyl-4-(2-methylpropylamino)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-4-(2-methylpropylamino)piperidine-4-carboxamide
PubChem CID60995368
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name1-benzyl-4-(2-methylpropylamino)piperidine-4-carboxamide
SMILESCC(C)CNC1(C(N)=O)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H27N3O/c1-14(2)12-19-17(16(18)21)8-10-20(11-9-17)13-15-6-4-3-5-7-15/h3-7,14,19H,8-13H2,1-2H3,(H2,18,21)
InChIKeyAHFDACMRFKYEPK-UHFFFAOYSA-N
XLogP1.75
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-4-((1,2,3,4,5,6-13C6)cyclohexatrienylamino)piperidine-4-carboxamide
CID 45040221
[1-benzyl-4-(2-methylpropylamino)piperidin-4-yl]methanol
CID 61056770
1-benzyl-4-[(2,2,2-trifluoroacetyl)amino]piperidine-4-carboxamide
CID 154385489
1-benzyl-4-(butan-2-ylamino)piperidine-4-carboxylic acid
CID 61024423
1-benzyl-3-(2,2,2-trifluoroethylamino)pyrrolidine-3-carboxamide
CID 60999133
4-(benzylamino)-1-(2-phenylethyl)piperidine-4-carboxamide
CID 113225254
4-(benzylamino)-1-propan-2-ylazepane-4-carboxamide
CID 65075738
1-benzyl-4-ethenylpiperidine-4-carboxamide
CID 23109456
1-benzyl-4-(2-methylpropyl)piperidin-4-ol
CID 83693176
methyl 4-amino-1-benzylpiperidine-4-carboxylate
CID 3044632
4-(benzylamino)-1-methylazepane-4-carboxamide
CID 65075475
methyl 2-(1-benzyl-4-hydroxypiperidin-4-yl)butanoate
CID 62394914

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(2-methylpropylamino)piperidine-4-carboxamide?
The IUPAC name of 1-benzyl-4-(2-methylpropylamino)piperidine-4-carboxamide (CID 60995368) is 1-benzyl-4-(2-methylpropylamino)piperidine-4-carboxamide.
What is the SMILES notation for 1-benzyl-4-(2-methylpropylamino)piperidine-4-carboxamide?
The canonical SMILES for 1-benzyl-4-(2-methylpropylamino)piperidine-4-carboxamide is CC(C)CNC1(C(N)=O)CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-(2-methylpropylamino)piperidine-4-carboxamide?
The InChIKey is AHFDACMRFKYEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-14(2)12-19-17(16(18)21)8-10-20(11-9-17)13-15-6-4-3-5-7-15/h3-7,14,19H,8-13H2,1-2H3,(H2,18,21).
What are the key properties of 1-benzyl-4-(2-methylpropylamino)piperidine-4-carboxamide?
1-benzyl-4-(2-methylpropylamino)piperidine-4-carboxamide has a molecular weight of 289.42 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(2-methylpropylamino)piperidine-4-carboxamide is sourced from PubChem (CID 60995368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).