(3S,6R)-6-cyclobutyl-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid

C18H23NO4 — CID 178194318

IUPAC(3S,6R)-6-cyclobutyl-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CC[C@H](C2CCC2)N(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C18H23NO4/c20-17(21)15-9-10-16(14-7-4-8-14)19(11-15)18(22)23-12-13-5-2-1-3-6-13/h1-3,5-6,14-16H,4,7-12H2,(H,20,21)/t15-,16+/m0/s1
InChIKeyIEKQPFACPBUXQW-JKSUJKDBSA-N
MW317.38 g/mol
LogP3.29
Rot. Bonds4

About (3S,6R)-6-cyclobutyl-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid

(3S,6R)-6-cyclobutyl-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid (PubChem CID 178194318) has the molecular formula C18H23NO4 and a molecular weight of 317.38 g/mol. Its IUPAC name is (3S,6R)-6-cyclobutyl-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S,6R)-6-cyclobutyl-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid
PubChem CID178194318
Molecular FormulaC18H23NO4
Molecular Weight317.38 g/mol
Exact Mass317.16
IUPAC Name(3S,6R)-6-cyclobutyl-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CC[C@H](C2CCC2)N(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C18H23NO4/c20-17(21)15-9-10-16(14-7-4-8-14)19(11-15)18(22)23-12-13-5-2-1-3-6-13/h1-3,5-6,14-16H,4,7-12H2,(H,20,21)/t15-,16+/m0/s1
InChIKeyIEKQPFACPBUXQW-JKSUJKDBSA-N
XLogP3.29
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S,6R)-6-cyclobutyl-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid 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

(3R,6R)-6-(difluoromethyl)-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid;(3S,6S)-6-(difluoromethyl)-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid
CID 158469007
(3S,3aR,6aS)-2-phenylmethoxycarbonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 135317799
2-phenylmethoxycarbonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 73243312
(2R,4S)-1-phenylmethoxycarbonylpyrrolidine-2,4-dicarboxylic acid
CID 18391508
benzyl (1S,6S)-3,7-diazabicyclo[4.2.0]octane-7-carboxylate;benzyl (1R,6R)-3,7-diazabicyclo[4.2.0]octane-7-carboxylate
CID 86222752
(3R,5S)-5-phenyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
CID 102278836
(1R,4S)-7-phenylmethoxycarbonyl-7-azabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
CID 86702797
2-O-benzyl 3-O-methyl (3S,3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2,3-dicarboxylate
CID 135317961
benzyl (1S,4S,6S)-6-(bromomethyl)-2-azabicyclo[2.2.2]octane-2-carboxylate
CID 125425578
benzyl 2-(oxiran-2-yl)pyrrolidine-1-carboxylate
CID 21051103
(3R,5S)-5-(methylamino)-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
CID 118495982
(2S,3R)-3-cyclohexyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 58051374

Frequently Asked Questions

What is the IUPAC name of (3S,6R)-6-cyclobutyl-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid?
The IUPAC name of (3S,6R)-6-cyclobutyl-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid (CID 178194318) is (3S,6R)-6-cyclobutyl-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid.
What is the SMILES notation for (3S,6R)-6-cyclobutyl-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid?
The canonical SMILES for (3S,6R)-6-cyclobutyl-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid is O=C(O)[C@H]1CC[C@H](C2CCC2)N(C(=O)OCc2ccccc2)C1.
What is the InChIKey of (3S,6R)-6-cyclobutyl-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid?
The InChIKey is IEKQPFACPBUXQW-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H23NO4/c20-17(21)15-9-10-16(14-7-4-8-14)19(11-15)18(22)23-12-13-5-2-1-3-6-13/h1-3,5-6,14-16H,4,7-12H2,(H,20,21)/t15-,16+/m0/s1.
What are the key properties of (3S,6R)-6-cyclobutyl-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid?
(3S,6R)-6-cyclobutyl-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid has a molecular weight of 317.38 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6R)-6-cyclobutyl-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid is sourced from PubChem (CID 178194318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).