3-methyl-1-phenylmethoxycarbonylpiperidine-3-carboxylate

C15H18NO4- — CID 134129406

IUPAC3-methyl-1-phenylmethoxycarbonylpiperidine-3-carboxylate
SMILESCC1(C(=O)[O-])CCCN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C15H19NO4/c1-15(13(17)18)8-5-9-16(11-15)14(19)20-10-12-6-3-2-4-7-12/h2-4,6-7H,5,8-11H2,1H3,(H,17,18)/p-1
InChIKeyVTRVUNGMWPPWGP-UHFFFAOYSA-M
MW276.31 g/mol
LogP1.18
Rot. Bonds3

About 3-methyl-1-phenylmethoxycarbonylpiperidine-3-carboxylate

3-methyl-1-phenylmethoxycarbonylpiperidine-3-carboxylate (PubChem CID 134129406) has the molecular formula C15H18NO4- and a molecular weight of 276.31 g/mol. Its IUPAC name is 3-methyl-1-phenylmethoxycarbonylpiperidine-3-carboxylate.

Molecular Properties

Compound Name3-methyl-1-phenylmethoxycarbonylpiperidine-3-carboxylate
PubChem CID134129406
Molecular FormulaC15H18NO4-
Molecular Weight276.31 g/mol
Exact Mass276.12
IUPAC Name3-methyl-1-phenylmethoxycarbonylpiperidine-3-carboxylate
SMILESCC1(C(=O)[O-])CCCN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C15H19NO4/c1-15(13(17)18)8-5-9-16(11-15)14(19)20-10-12-6-3-2-4-7-12/h2-4,6-7H,5,8-11H2,1H3,(H,17,18)/p-1
InChIKeyVTRVUNGMWPPWGP-UHFFFAOYSA-M
XLogP1.18
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-methyl-1-phenylmethoxycarbonylpiperidine-3-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

3-methyl-1-phenylmethoxycarbonylazetidine-3-carboxylate
CID 91666202
1-O-benzyl 3-O-(trifluoromethyl) 3-methylpiperidine-1,3-dicarboxylate
CID 175123877
benzyl (3R)-3-amino-3-methylpiperidine-1-carboxylate;hydrochloride
CID 119081423
(3R)-3-methyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
CID 71814981
benzyl 3-methoxy-3-methylpiperidine-1-carboxylate
CID 130477377
benzyl 3-amino-3-ethylpiperidine-1-carboxylate
CID 165464075
1-O-benzyl 3-O-methyl (3S)-3-methylpyrrolidine-1,3-dicarboxylate
CID 97294876
benzyl (3S)-3-methyl-3-(propan-2-ylamino)piperidine-1-carboxylate
CID 97175006
benzyl 1-oxa-7-azaspiro[2.5]octane-7-carboxylate
CID 71649497
benzyl 3-amino-3-(aminomethyl)piperidine-1-carboxylate
CID 164535142
benzyl 2-methyl-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 118883097
2-(3-hydroxy-1-phenylmethoxycarbonylpiperidin-3-yl)acetic acid
CID 163342503

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-phenylmethoxycarbonylpiperidine-3-carboxylate?
The IUPAC name of 3-methyl-1-phenylmethoxycarbonylpiperidine-3-carboxylate (CID 134129406) is 3-methyl-1-phenylmethoxycarbonylpiperidine-3-carboxylate.
What is the SMILES notation for 3-methyl-1-phenylmethoxycarbonylpiperidine-3-carboxylate?
The canonical SMILES for 3-methyl-1-phenylmethoxycarbonylpiperidine-3-carboxylate is CC1(C(=O)[O-])CCCN(C(=O)OCc2ccccc2)C1.
What is the InChIKey of 3-methyl-1-phenylmethoxycarbonylpiperidine-3-carboxylate?
The InChIKey is VTRVUNGMWPPWGP-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H19NO4/c1-15(13(17)18)8-5-9-16(11-15)14(19)20-10-12-6-3-2-4-7-12/h2-4,6-7H,5,8-11H2,1H3,(H,17,18)/p-1.
What are the key properties of 3-methyl-1-phenylmethoxycarbonylpiperidine-3-carboxylate?
3-methyl-1-phenylmethoxycarbonylpiperidine-3-carboxylate has a molecular weight of 276.31 g/mol, XLogP of 1.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-phenylmethoxycarbonylpiperidine-3-carboxylate is sourced from PubChem (CID 134129406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).