2-[1-(benzylcarbamoyl)piperidin-4-yl]acetic acid

C15H20N2O3 — CID 79608761

IUPAC2-[1-(benzylcarbamoyl)piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C15H20N2O3/c18-14(19)10-12-6-8-17(9-7-12)15(20)16-11-13-4-2-1-3-5-13/h1-5,12H,6-11H2,(H,16,20)(H,18,19)
InChIKeyNPNOKHPOUUHARW-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.08
Rot. Bonds4

About 2-[1-(benzylcarbamoyl)piperidin-4-yl]acetic acid

2-[1-(benzylcarbamoyl)piperidin-4-yl]acetic acid (PubChem CID 79608761) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[1-(benzylcarbamoyl)piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(benzylcarbamoyl)piperidin-4-yl]acetic acid
PubChem CID79608761
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-[1-(benzylcarbamoyl)piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C15H20N2O3/c18-14(19)10-12-6-8-17(9-7-12)15(20)16-11-13-4-2-1-3-5-13/h1-5,12H,6-11H2,(H,16,20)(H,18,19)
InChIKeyNPNOKHPOUUHARW-UHFFFAOYSA-N
XLogP2.08
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-4-methylpiperidine-1-carboxamide
CID 18715459
N-benzyl-4-[2-(methylamino)ethyl]piperidine-1-carboxamide
CID 107654135
3-(2-aminoethyl)-N-benzylpyrrolidine-1-carboxamide
CID 107654576
N-benzyl-4-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 71192982
N-benzylazonane-1-carboxamide
CID 130689649
N-benzyl-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide
CID 71781180
2-[1-(2-phenylacetyl)piperidin-4-yl]acetic acid
CID 28997512
2-[1-(benzylcarbamoyl)piperidin-4-yl]benzoic acid
CID 166237312
N-benzyl-4,4-dimethylpiperidine-1-carboxamide
CID 110749470
N-benzyl-4-hydroxy-3-methylpiperidine-1-carboxamide
CID 104954561
2-[1-[(2-methylpyrazol-3-yl)methylcarbamoyl]piperidin-4-yl]acetic acid
CID 79605623
N-benzyl-3-methoxypyrrolidine-1-carboxamide
CID 107653241

Frequently Asked Questions

What is the IUPAC name of 2-[1-(benzylcarbamoyl)piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-(benzylcarbamoyl)piperidin-4-yl]acetic acid (CID 79608761) is 2-[1-(benzylcarbamoyl)piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(benzylcarbamoyl)piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-(benzylcarbamoyl)piperidin-4-yl]acetic acid is O=C(O)CC1CCN(C(=O)NCc2ccccc2)CC1.
What is the InChIKey of 2-[1-(benzylcarbamoyl)piperidin-4-yl]acetic acid?
The InChIKey is NPNOKHPOUUHARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c18-14(19)10-12-6-8-17(9-7-12)15(20)16-11-13-4-2-1-3-5-13/h1-5,12H,6-11H2,(H,16,20)(H,18,19).
What are the key properties of 2-[1-(benzylcarbamoyl)piperidin-4-yl]acetic acid?
2-[1-(benzylcarbamoyl)piperidin-4-yl]acetic acid has a molecular weight of 276.34 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(benzylcarbamoyl)piperidin-4-yl]acetic acid is sourced from PubChem (CID 79608761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).