cyclohexylmethyl 1-(phenylcarbamoyl)piperidine-4-carboxylate

C20H28N2O3 — CID 7836687

IUPACcyclohexylmethyl 1-(phenylcarbamoyl)piperidine-4-carboxylate
SMILESO=C(OCC1CCCCC1)C1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C20H28N2O3/c23-19(25-15-16-7-3-1-4-8-16)17-11-13-22(14-12-17)20(24)21-18-9-5-2-6-10-18/h2,5-6,9-10,16-17H,1,3-4,7-8,11-15H2,(H,21,24)
InChIKeyOTPIJBSDGURBON-UHFFFAOYSA-N
MW344.45 g/mol
LogP4.05
Rot. Bonds4

About cyclohexylmethyl 1-(phenylcarbamoyl)piperidine-4-carboxylate

cyclohexylmethyl 1-(phenylcarbamoyl)piperidine-4-carboxylate (PubChem CID 7836687) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is cyclohexylmethyl 1-(phenylcarbamoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namecyclohexylmethyl 1-(phenylcarbamoyl)piperidine-4-carboxylate
PubChem CID7836687
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC Namecyclohexylmethyl 1-(phenylcarbamoyl)piperidine-4-carboxylate
SMILESO=C(OCC1CCCCC1)C1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C20H28N2O3/c23-19(25-15-16-7-3-1-4-8-16)17-11-13-22(14-12-17)20(24)21-18-9-5-2-6-10-18/h2,5-6,9-10,16-17H,1,3-4,7-8,11-15H2,(H,21,24)
InChIKeyOTPIJBSDGURBON-UHFFFAOYSA-N
XLogP4.05
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-phenylphenyl)methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836802
4-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 17474266
1-[[4-(cyclohexylmethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122078438
(3,3-dimethyl-2-oxobutyl) 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836704
[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 1-(cyclopropanecarbonyl)piperidine-4-carboxylate
CID 27271014
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7899062
[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836796
[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836720
ethyl 1-[(4-phenylphenyl)carbamoyl]piperidine-4-carboxylate
CID 108867004
4-(phenoxymethyl)-N-phenylpiperidine-1-carboxamide
CID 110638783
[2-(diethylamino)-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836533
2-(1,3-dioxoisoindol-2-yl)ethyl 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836697

Frequently Asked Questions

What is the IUPAC name of cyclohexylmethyl 1-(phenylcarbamoyl)piperidine-4-carboxylate?
The IUPAC name of cyclohexylmethyl 1-(phenylcarbamoyl)piperidine-4-carboxylate (CID 7836687) is cyclohexylmethyl 1-(phenylcarbamoyl)piperidine-4-carboxylate.
What is the SMILES notation for cyclohexylmethyl 1-(phenylcarbamoyl)piperidine-4-carboxylate?
The canonical SMILES for cyclohexylmethyl 1-(phenylcarbamoyl)piperidine-4-carboxylate is O=C(OCC1CCCCC1)C1CCN(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of cyclohexylmethyl 1-(phenylcarbamoyl)piperidine-4-carboxylate?
The InChIKey is OTPIJBSDGURBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c23-19(25-15-16-7-3-1-4-8-16)17-11-13-22(14-12-17)20(24)21-18-9-5-2-6-10-18/h2,5-6,9-10,16-17H,1,3-4,7-8,11-15H2,(H,21,24).
What are the key properties of cyclohexylmethyl 1-(phenylcarbamoyl)piperidine-4-carboxylate?
cyclohexylmethyl 1-(phenylcarbamoyl)piperidine-4-carboxylate has a molecular weight of 344.45 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethyl 1-(phenylcarbamoyl)piperidine-4-carboxylate is sourced from PubChem (CID 7836687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).