1-cyclobutyl-5-(phenylmethoxycarbonylamino)piperidine-3-carboxylic acid

C18H24N2O4 — CID 112545077

IUPAC1-cyclobutyl-5-(phenylmethoxycarbonylamino)piperidine-3-carboxylic acid
SMILESO=C(NC1CC(C(=O)O)CN(C2CCC2)C1)OCc1ccccc1
InChIInChI=1S/C18H24N2O4/c21-17(22)14-9-15(11-20(10-14)16-7-4-8-16)19-18(23)24-12-13-5-2-1-3-6-13/h1-3,5-6,14-16H,4,7-12H2,(H,19,23)(H,21,22)
InChIKeyRTSLSTRYJKIZSX-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.24
Rot. Bonds5

About 1-cyclobutyl-5-(phenylmethoxycarbonylamino)piperidine-3-carboxylic acid

1-cyclobutyl-5-(phenylmethoxycarbonylamino)piperidine-3-carboxylic acid (PubChem CID 112545077) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 1-cyclobutyl-5-(phenylmethoxycarbonylamino)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclobutyl-5-(phenylmethoxycarbonylamino)piperidine-3-carboxylic acid
PubChem CID112545077
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name1-cyclobutyl-5-(phenylmethoxycarbonylamino)piperidine-3-carboxylic acid
SMILESO=C(NC1CC(C(=O)O)CN(C2CCC2)C1)OCc1ccccc1
InChIInChI=1S/C18H24N2O4/c21-17(22)14-9-15(11-20(10-14)16-7-4-8-16)19-18(23)24-12-13-5-2-1-3-6-13/h1-3,5-6,14-16H,4,7-12H2,(H,19,23)(H,21,22)
InChIKeyRTSLSTRYJKIZSX-UHFFFAOYSA-N
XLogP2.24
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-(1-cyclopropyl-5-methylpiperidin-3-yl)carbamate
CID 112545058
benzyl N-cyclobutylcarbamate;carbonic acid
CID 66730699
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
cis-methyl (1S,3R)-3-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylate
CID 124632395
benzyl N-[(3S)-1-(oxetan-3-yl)pyrrolidin-3-yl]carbamate
CID 56965558
benzyl N-(3-hydroxycyclohexyl)carbamate
CID 14476840
benzyl N-(3-amino-4-hydroxycyclohexyl)carbamate
CID 130143236
benzyl N-(3-methylcyclohexyl)carbamate
CID 67989254
benzyl 3-(phenylmethoxycarbonylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171936899
(2R)-2-(hydroxymethyl)-4-(phenylmethoxycarbonylamino)pyrrolidine-1-carboxylic acid
CID 175472031
dibenzyl (3S,4S)-1-cyclopentylpyrrolidine-3,4-dicarboxylate
CID 164643868
benzyl N-[4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexyl]carbamate
CID 142544483

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-5-(phenylmethoxycarbonylamino)piperidine-3-carboxylic acid?
The IUPAC name of 1-cyclobutyl-5-(phenylmethoxycarbonylamino)piperidine-3-carboxylic acid (CID 112545077) is 1-cyclobutyl-5-(phenylmethoxycarbonylamino)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-cyclobutyl-5-(phenylmethoxycarbonylamino)piperidine-3-carboxylic acid?
The canonical SMILES for 1-cyclobutyl-5-(phenylmethoxycarbonylamino)piperidine-3-carboxylic acid is O=C(NC1CC(C(=O)O)CN(C2CCC2)C1)OCc1ccccc1.
What is the InChIKey of 1-cyclobutyl-5-(phenylmethoxycarbonylamino)piperidine-3-carboxylic acid?
The InChIKey is RTSLSTRYJKIZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c21-17(22)14-9-15(11-20(10-14)16-7-4-8-16)19-18(23)24-12-13-5-2-1-3-6-13/h1-3,5-6,14-16H,4,7-12H2,(H,19,23)(H,21,22).
What are the key properties of 1-cyclobutyl-5-(phenylmethoxycarbonylamino)piperidine-3-carboxylic acid?
1-cyclobutyl-5-(phenylmethoxycarbonylamino)piperidine-3-carboxylic acid has a molecular weight of 332.40 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-5-(phenylmethoxycarbonylamino)piperidine-3-carboxylic acid is sourced from PubChem (CID 112545077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).