2-methylpropyl 1-benzoylpiperidine-2-carboxylate

C17H23NO3 — CID 100995685

IUPAC2-methylpropyl 1-benzoylpiperidine-2-carboxylate
SMILESCC(C)COC(=O)C1CCCCN1C(=O)c1ccccc1
InChIInChI=1S/C17H23NO3/c1-13(2)12-21-17(20)15-10-6-7-11-18(15)16(19)14-8-4-3-5-9-14/h3-5,8-9,13,15H,6-7,10-12H2,1-2H3
InChIKeyVNENRVSQGALDQV-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.88
Rot. Bonds4

About 2-methylpropyl 1-benzoylpiperidine-2-carboxylate

2-methylpropyl 1-benzoylpiperidine-2-carboxylate (PubChem CID 100995685) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-methylpropyl 1-benzoylpiperidine-2-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 1-benzoylpiperidine-2-carboxylate
PubChem CID100995685
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name2-methylpropyl 1-benzoylpiperidine-2-carboxylate
SMILESCC(C)COC(=O)C1CCCCN1C(=O)c1ccccc1
InChIInChI=1S/C17H23NO3/c1-13(2)12-21-17(20)15-10-6-7-11-18(15)16(19)14-8-4-3-5-9-14/h3-5,8-9,13,15H,6-7,10-12H2,1-2H3
InChIKeyVNENRVSQGALDQV-UHFFFAOYSA-N
XLogP2.88
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-methylpropyl 1-benzoylpiperidine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-O-benzyl 2-O-(2-methylpropyl) piperidine-1,2-dicarboxylate
CID 100995684
1-naphthalen-1-ylethyl (2S)-1-benzoylpyrrolidine-2-carboxylate
CID 10948739
ethyl 1-(4-aminobenzoyl)piperidine-2-carboxylate
CID 43648283
tert-butyl (2R)-1-benzoylpyrrolidine-2-carboxylate
CID 81002194
tert-butyl (2S)-1-benzoylpyrrolidine-2-carboxylate
CID 81004052
2-(3-methoxyphenyl)ethyl 1-benzoylpiperidine-2-carboxylate
CID 166373036
methyl (2R)-1-[4-(2-methylpropoxy)benzoyl]pyrrolidine-2-carboxylate
CID 908839
(2-ethoxypiperidin-1-yl)-phenylmethanone
CID 134988342
benzyl (2S)-1-(3-methylbutanoyl)pyrrolidine-2-carboxylate
CID 45142238
(2S)-1-benzoyl-N-methoxypyrrolidine-2-carboxamide
CID 11345650
2-O-(2-methylpropyl) 1-O-(2,2,2-trichloroethyl) (2S)-pyrrolidine-1,2-dicarboxylate
CID 20837566
N-(3-aminobutyl)-1-benzoylpyrrolidine-2-carboxamide
CID 119498752

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 1-benzoylpiperidine-2-carboxylate?
The IUPAC name of 2-methylpropyl 1-benzoylpiperidine-2-carboxylate (CID 100995685) is 2-methylpropyl 1-benzoylpiperidine-2-carboxylate.
What is the SMILES notation for 2-methylpropyl 1-benzoylpiperidine-2-carboxylate?
The canonical SMILES for 2-methylpropyl 1-benzoylpiperidine-2-carboxylate is CC(C)COC(=O)C1CCCCN1C(=O)c1ccccc1.
What is the InChIKey of 2-methylpropyl 1-benzoylpiperidine-2-carboxylate?
The InChIKey is VNENRVSQGALDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-13(2)12-21-17(20)15-10-6-7-11-18(15)16(19)14-8-4-3-5-9-14/h3-5,8-9,13,15H,6-7,10-12H2,1-2H3.
What are the key properties of 2-methylpropyl 1-benzoylpiperidine-2-carboxylate?
2-methylpropyl 1-benzoylpiperidine-2-carboxylate has a molecular weight of 289.38 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 1-benzoylpiperidine-2-carboxylate is sourced from PubChem (CID 100995685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).