phenyl 4-[(2,2-dicyclohexylacetyl)amino]piperidine-1-carboxylate

C26H38N2O3 — CID 142651449

IUPACphenyl 4-[(2,2-dicyclohexylacetyl)amino]piperidine-1-carboxylate
SMILESO=C(NC1CCN(C(=O)Oc2ccccc2)CC1)C(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C26H38N2O3/c29-25(24(20-10-4-1-5-11-20)21-12-6-2-7-13-21)27-22-16-18-28(19-17-22)26(30)31-23-14-8-3-9-15-23/h3,8-9,14-15,20-22,24H,1-2,4-7,10-13,16-19H2,(H,27,29)
InChIKeyFWUCXQMQPYDEIE-UHFFFAOYSA-N
MW426.60 g/mol
LogP5.54
Rot. Bonds5

About phenyl 4-[(2,2-dicyclohexylacetyl)amino]piperidine-1-carboxylate

phenyl 4-[(2,2-dicyclohexylacetyl)amino]piperidine-1-carboxylate (PubChem CID 142651449) has the molecular formula C26H38N2O3 and a molecular weight of 426.60 g/mol. Its IUPAC name is phenyl 4-[(2,2-dicyclohexylacetyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Namephenyl 4-[(2,2-dicyclohexylacetyl)amino]piperidine-1-carboxylate
PubChem CID142651449
Molecular FormulaC26H38N2O3
Molecular Weight426.60 g/mol
Exact Mass426.29
IUPAC Namephenyl 4-[(2,2-dicyclohexylacetyl)amino]piperidine-1-carboxylate
SMILESO=C(NC1CCN(C(=O)Oc2ccccc2)CC1)C(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C26H38N2O3/c29-25(24(20-10-4-1-5-11-20)21-12-6-2-7-13-21)27-22-16-18-28(19-17-22)26(30)31-23-14-8-3-9-15-23/h3,8-9,14-15,20-22,24H,1-2,4-7,10-13,16-19H2,(H,27,29)
InChIKeyFWUCXQMQPYDEIE-UHFFFAOYSA-N
XLogP5.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.60
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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phenyl N-cyclopentylcarbamate
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phenyl 4-cyclopentylpiperazine-1-carboxylate
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phenyl N-[1-(cyclopropanecarbonyl)piperidin-4-yl]carbamate
CID 60725156
phenyl 4-phenoxypiperidine-1-carboxylate
CID 110396730
phenyl 4-[(5-chloro-2-methoxybenzoyl)amino]piperidine-1-carboxylate
CID 108560540
phenyl 2-(cyclohexylcarbamoyl)pyrrolidine-1-carboxylate
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phenyl 4-cyanopiperidine-1-carboxylate
CID 62077915

Frequently Asked Questions

What is the IUPAC name of phenyl 4-[(2,2-dicyclohexylacetyl)amino]piperidine-1-carboxylate?
The IUPAC name of phenyl 4-[(2,2-dicyclohexylacetyl)amino]piperidine-1-carboxylate (CID 142651449) is phenyl 4-[(2,2-dicyclohexylacetyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for phenyl 4-[(2,2-dicyclohexylacetyl)amino]piperidine-1-carboxylate?
The canonical SMILES for phenyl 4-[(2,2-dicyclohexylacetyl)amino]piperidine-1-carboxylate is O=C(NC1CCN(C(=O)Oc2ccccc2)CC1)C(C1CCCCC1)C1CCCCC1.
What is the InChIKey of phenyl 4-[(2,2-dicyclohexylacetyl)amino]piperidine-1-carboxylate?
The InChIKey is FWUCXQMQPYDEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N2O3/c29-25(24(20-10-4-1-5-11-20)21-12-6-2-7-13-21)27-22-16-18-28(19-17-22)26(30)31-23-14-8-3-9-15-23/h3,8-9,14-15,20-22,24H,1-2,4-7,10-13,16-19H2,(H,27,29).
What are the key properties of phenyl 4-[(2,2-dicyclohexylacetyl)amino]piperidine-1-carboxylate?
phenyl 4-[(2,2-dicyclohexylacetyl)amino]piperidine-1-carboxylate has a molecular weight of 426.60 g/mol, XLogP of 5.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 4-[(2,2-dicyclohexylacetyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 142651449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).