2-[(1-benzoylpiperidine-3-carbonyl)-propan-2-ylamino]acetic acid

C18H24N2O4 — CID 119198387

IUPAC2-[(1-benzoylpiperidine-3-carbonyl)-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)C1CCCN(C(=O)c2ccccc2)C1
InChIInChI=1S/C18H24N2O4/c1-13(2)20(12-16(21)22)18(24)15-9-6-10-19(11-15)17(23)14-7-4-3-5-8-14/h3-5,7-8,13,15H,6,9-12H2,1-2H3,(H,21,22)
InChIKeyYQALJKVSFAGPKF-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.86
Rot. Bonds5

About 2-[(1-benzoylpiperidine-3-carbonyl)-propan-2-ylamino]acetic acid

2-[(1-benzoylpiperidine-3-carbonyl)-propan-2-ylamino]acetic acid (PubChem CID 119198387) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-[(1-benzoylpiperidine-3-carbonyl)-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[(1-benzoylpiperidine-3-carbonyl)-propan-2-ylamino]acetic acid
PubChem CID119198387
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name2-[(1-benzoylpiperidine-3-carbonyl)-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)C1CCCN(C(=O)c2ccccc2)C1
InChIInChI=1S/C18H24N2O4/c1-13(2)20(12-16(21)22)18(24)15-9-6-10-19(11-15)17(23)14-7-4-3-5-8-14/h3-5,7-8,13,15H,6,9-12H2,1-2H3,(H,21,22)
InChIKeyYQALJKVSFAGPKF-UHFFFAOYSA-N
XLogP1.86
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(4-chlorobenzoyl)piperidine-3-carbonyl]-propan-2-ylamino]acetic acid
CID 119198394
3-[[1-(4-chlorobenzoyl)piperidine-3-carbonyl]-propan-2-ylamino]propanoic acid
CID 119207299
1-benzoylpiperidine-3-carbonyl chloride
CID 15718173
1-benzoyl-N-[(2-hydroxycyclopentyl)methyl]-N-methylpiperidine-3-carboxamide
CID 109399792
(2S)-2-[(1-benzoylpiperidine-3-carbonyl)amino]propanoic acid
CID 119238223
2-[[(2S)-butan-2-yl]-[(3R)-1-carbamoylpiperidine-3-carbonyl]amino]acetic acid
CID 129365613
N-phenyl-1-propanoyl-N-propan-2-ylpiperidine-3-carboxamide
CID 87037742
1-(methanesulfonamido)propan-2-yl 1-benzoylpiperidine-3-carboxylate
CID 71852107
propyl 1-benzoylpiperidine-3-carboxylate
CID 57315331
1-benzoyl-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-3-carboxamide
CID 136524417
2-[(1-benzoylpiperidine-3-carbonyl)amino]-3-phenylpropanoic acid
CID 119165825
ethyl (3R)-1-(4-benzoylbenzoyl)piperidine-3-carboxylate
CID 30283825

Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzoylpiperidine-3-carbonyl)-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[(1-benzoylpiperidine-3-carbonyl)-propan-2-ylamino]acetic acid (CID 119198387) is 2-[(1-benzoylpiperidine-3-carbonyl)-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[(1-benzoylpiperidine-3-carbonyl)-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[(1-benzoylpiperidine-3-carbonyl)-propan-2-ylamino]acetic acid is CC(C)N(CC(=O)O)C(=O)C1CCCN(C(=O)c2ccccc2)C1.
What is the InChIKey of 2-[(1-benzoylpiperidine-3-carbonyl)-propan-2-ylamino]acetic acid?
The InChIKey is YQALJKVSFAGPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-13(2)20(12-16(21)22)18(24)15-9-6-10-19(11-15)17(23)14-7-4-3-5-8-14/h3-5,7-8,13,15H,6,9-12H2,1-2H3,(H,21,22).
What are the key properties of 2-[(1-benzoylpiperidine-3-carbonyl)-propan-2-ylamino]acetic acid?
2-[(1-benzoylpiperidine-3-carbonyl)-propan-2-ylamino]acetic acid has a molecular weight of 332.40 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzoylpiperidine-3-carbonyl)-propan-2-ylamino]acetic acid is sourced from PubChem (CID 119198387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).