3-[(1-benzylpiperidine-4-carbonyl)amino]-2,2-dimethylpropanoic acid

C18H26N2O3 — CID 119250204

IUPAC3-[(1-benzylpiperidine-4-carbonyl)amino]-2,2-dimethylpropanoic acid
SMILESCC(C)(CNC(=O)C1CCN(Cc2ccccc2)CC1)C(=O)O
InChIInChI=1S/C18H26N2O3/c1-18(2,17(22)23)13-19-16(21)15-8-10-20(11-9-15)12-14-6-4-3-5-7-14/h3-7,15H,8-13H2,1-2H3,(H,19,21)(H,22,23)
InChIKeyFVYBHXIHEVTLEV-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.13
Rot. Bonds6

About 3-[(1-benzylpiperidine-4-carbonyl)amino]-2,2-dimethylpropanoic acid

3-[(1-benzylpiperidine-4-carbonyl)amino]-2,2-dimethylpropanoic acid (PubChem CID 119250204) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 3-[(1-benzylpiperidine-4-carbonyl)amino]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[(1-benzylpiperidine-4-carbonyl)amino]-2,2-dimethylpropanoic acid
PubChem CID119250204
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name3-[(1-benzylpiperidine-4-carbonyl)amino]-2,2-dimethylpropanoic acid
SMILESCC(C)(CNC(=O)C1CCN(Cc2ccccc2)CC1)C(=O)O
InChIInChI=1S/C18H26N2O3/c1-18(2,17(22)23)13-19-16(21)15-8-10-20(11-9-15)12-14-6-4-3-5-7-14/h3-7,15H,8-13H2,1-2H3,(H,19,21)(H,22,23)
InChIKeyFVYBHXIHEVTLEV-UHFFFAOYSA-N
XLogP2.13
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-N-(2,2-dimethylpropyl)piperidine-4-carboxamide
CID 141383860
1-benzyl-N-pentylpiperidine-4-carboxamide
CID 45011479
1-benzyl-N-prop-2-enylpiperidine-4-carboxamide
CID 25246491
1-benzyl-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 46773938
1-benzyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide;dihydrochloride
CID 120831634
1-(1-benzylpiperidin-4-yl)ethanone
CID 910923
N-(1-amino-1-oxo-2-phenylpropan-2-yl)-1-benzylpiperidine-4-carboxamide
CID 136580049
1-benzyl-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]piperidine-4-carboxamide
CID 136512544
3-[(1-benzylpiperidine-4-carbonyl)amino]-2-phenylpropanoic acid
CID 119254948
1-[(1-benzylpiperidine-4-carbonyl)amino]-3-ethylthiourea
CID 3806020
methyl 4-[[4-(benzylcarbamoyl)piperidin-1-yl]methyl]benzoate
CID 27107110
1-[(4-chlorophenyl)methyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide
CID 3920070

Frequently Asked Questions

What is the IUPAC name of 3-[(1-benzylpiperidine-4-carbonyl)amino]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[(1-benzylpiperidine-4-carbonyl)amino]-2,2-dimethylpropanoic acid (CID 119250204) is 3-[(1-benzylpiperidine-4-carbonyl)amino]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[(1-benzylpiperidine-4-carbonyl)amino]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[(1-benzylpiperidine-4-carbonyl)amino]-2,2-dimethylpropanoic acid is CC(C)(CNC(=O)C1CCN(Cc2ccccc2)CC1)C(=O)O.
What is the InChIKey of 3-[(1-benzylpiperidine-4-carbonyl)amino]-2,2-dimethylpropanoic acid?
The InChIKey is FVYBHXIHEVTLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-18(2,17(22)23)13-19-16(21)15-8-10-20(11-9-15)12-14-6-4-3-5-7-14/h3-7,15H,8-13H2,1-2H3,(H,19,21)(H,22,23).
What are the key properties of 3-[(1-benzylpiperidine-4-carbonyl)amino]-2,2-dimethylpropanoic acid?
3-[(1-benzylpiperidine-4-carbonyl)amino]-2,2-dimethylpropanoic acid has a molecular weight of 318.42 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-benzylpiperidine-4-carbonyl)amino]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 119250204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).