(3R)-3-amino-N-(4-cyclohexylphenyl)piperidine-1-carboxamide

C18H27N3O — CID 125156002

IUPAC(3R)-3-amino-N-(4-cyclohexylphenyl)piperidine-1-carboxamide
SMILESN[C@@H]1CCCN(C(=O)Nc2ccc(C3CCCCC3)cc2)C1
InChIInChI=1S/C18H27N3O/c19-16-7-4-12-21(13-16)18(22)20-17-10-8-15(9-11-17)14-5-2-1-3-6-14/h8-11,14,16H,1-7,12-13,19H2,(H,20,22)/t16-/m1/s1
InChIKeyJYODFAQINOKMBF-MRXNPFEDSA-N
MW301.43 g/mol
LogP3.69
Rot. Bonds2

About (3R)-3-amino-N-(4-cyclohexylphenyl)piperidine-1-carboxamide

(3R)-3-amino-N-(4-cyclohexylphenyl)piperidine-1-carboxamide (PubChem CID 125156002) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is (3R)-3-amino-N-(4-cyclohexylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-amino-N-(4-cyclohexylphenyl)piperidine-1-carboxamide
PubChem CID125156002
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name(3R)-3-amino-N-(4-cyclohexylphenyl)piperidine-1-carboxamide
SMILESN[C@@H]1CCCN(C(=O)Nc2ccc(C3CCCCC3)cc2)C1
InChIInChI=1S/C18H27N3O/c19-16-7-4-12-21(13-16)18(22)20-17-10-8-15(9-11-17)14-5-2-1-3-6-14/h8-11,14,16H,1-7,12-13,19H2,(H,20,22)/t16-/m1/s1
InChIKeyJYODFAQINOKMBF-MRXNPFEDSA-N
XLogP3.69
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-(4-cyclobutylphenyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 125139496
N-(4-cyclohexylphenyl)-4-methylpiperazine-1-carboxamide
CID 166373547
N-(4-cyclohexylphenyl)-1,3-dihydroisoindole-2-carboxamide;ethane
CID 176960927
(1R,5S)-N-(4-cyclohexylphenyl)-10-oxo-3,9-diazabicyclo[3.3.2]decane-3-carboxamide
CID 133124499
3-amino-N-(4-fluorophenyl)pyrrolidine-1-carboxamide
CID 62068743
(3R)-3-amino-N-phenylpyrrolidine-1-carboxamide
CID 94340040
3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide;hydrochloride
CID 119411060
(3R)-3-amino-N-(4-chlorophenyl)pyrrolidine-1-carboxamide;hydrochloride
CID 165430484
N-[4-(hydroxymethyl)phenyl]-3-phenylpiperidine-1-carboxamide
CID 166262555
(4-cyclopentylphenyl)urea
CID 130193151
(3S)-3-amino-N-(4-cyanophenyl)pyrrolidine-1-carboxamide
CID 113282408
3-amino-N-(1H-indazol-5-yl)piperidine-1-carboxamide;hydrochloride
CID 171686977

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-N-(4-cyclohexylphenyl)piperidine-1-carboxamide?
The IUPAC name of (3R)-3-amino-N-(4-cyclohexylphenyl)piperidine-1-carboxamide (CID 125156002) is (3R)-3-amino-N-(4-cyclohexylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-amino-N-(4-cyclohexylphenyl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-amino-N-(4-cyclohexylphenyl)piperidine-1-carboxamide is N[C@@H]1CCCN(C(=O)Nc2ccc(C3CCCCC3)cc2)C1.
What is the InChIKey of (3R)-3-amino-N-(4-cyclohexylphenyl)piperidine-1-carboxamide?
The InChIKey is JYODFAQINOKMBF-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H27N3O/c19-16-7-4-12-21(13-16)18(22)20-17-10-8-15(9-11-17)14-5-2-1-3-6-14/h8-11,14,16H,1-7,12-13,19H2,(H,20,22)/t16-/m1/s1.
What are the key properties of (3R)-3-amino-N-(4-cyclohexylphenyl)piperidine-1-carboxamide?
(3R)-3-amino-N-(4-cyclohexylphenyl)piperidine-1-carboxamide has a molecular weight of 301.43 g/mol, XLogP of 3.69, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-N-(4-cyclohexylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 125156002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).