trans-(1R,2R)-N-phenyl-2-piperidin-1-ylcyclohexane-1-carboxamide

C18H26N2O — CID 125470128

IUPACtrans-(1R,2R)-N-phenyl-2-piperidin-1-ylcyclohexane-1-carboxamide
SMILESO=C(Nc1ccccc1)[C@@H]1CCCC[C@H]1N1CCCCC1
InChIInChI=1S/C18H26N2O/c21-18(19-15-9-3-1-4-10-15)16-11-5-6-12-17(16)20-13-7-2-8-14-20/h1,3-4,9-10,16-17H,2,5-8,11-14H2,(H,19,21)/t16-,17-/m1/s1
InChIKeyPDQOLVBFFZDUHW-IAGOWNOFSA-N
MW286.42 g/mol
LogP3.67
Rot. Bonds3

About trans-(1R,2R)-N-phenyl-2-piperidin-1-ylcyclohexane-1-carboxamide

trans-(1R,2R)-N-phenyl-2-piperidin-1-ylcyclohexane-1-carboxamide (PubChem CID 125470128) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is trans-(1R,2R)-N-phenyl-2-piperidin-1-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-phenyl-2-piperidin-1-ylcyclohexane-1-carboxamide
PubChem CID125470128
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Nametrans-(1R,2R)-N-phenyl-2-piperidin-1-ylcyclohexane-1-carboxamide
SMILESO=C(Nc1ccccc1)[C@@H]1CCCC[C@H]1N1CCCCC1
InChIInChI=1S/C18H26N2O/c21-18(19-15-9-3-1-4-10-15)16-11-5-6-12-17(16)20-13-7-2-8-14-20/h1,3-4,9-10,16-17H,2,5-8,11-14H2,(H,19,21)/t16-,17-/m1/s1
InChIKeyPDQOLVBFFZDUHW-IAGOWNOFSA-N
XLogP3.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2R)-1-N,2-N-diphenylcyclohexane-1,2-dicarboxamide
CID 15685590
trans-(1S,2S)-2-(phenylcarbamoyl)cyclohexane-1-carboxylic acid
CID 41097609
cis-(1S,2R)-2-[(4-anilinophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 696808
trans-(1R,2R)-2-amino-N-phenylcyclohexane-1-carboxamide
CID 10889384
2-anilino-N-phenylcyclohexane-1-carboxamide
CID 12512570
2-(azepane-1-carbonyl)-N-phenylcyclopropane-1-carboxamide
CID 109140677
2-(dimethylamino)-N-phenylcyclohexane-1-carboxamide
CID 71440267
2-[(4-pyrrolidin-1-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 82036772
(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxylic acid
CID 7758382
[(1R,2S,5R,8R)-2-piperidin-1-yl-8-bicyclo[3.2.1]octanyl] N-phenylcarbamate
CID 99720110
2-methyl-3-N-phenylpiperidine-1,3-dicarboxamide
CID 66701465
N-(4-anilinophenyl)-1-(cyclopentanecarbonyl)pyrrolidine-2-carboxamide
CID 166197699

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-phenyl-2-piperidin-1-ylcyclohexane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-phenyl-2-piperidin-1-ylcyclohexane-1-carboxamide (CID 125470128) is trans-(1R,2R)-N-phenyl-2-piperidin-1-ylcyclohexane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-phenyl-2-piperidin-1-ylcyclohexane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-phenyl-2-piperidin-1-ylcyclohexane-1-carboxamide is O=C(Nc1ccccc1)[C@@H]1CCCC[C@H]1N1CCCCC1.
What is the InChIKey of trans-(1R,2R)-N-phenyl-2-piperidin-1-ylcyclohexane-1-carboxamide?
The InChIKey is PDQOLVBFFZDUHW-IAGOWNOFSA-N. The full InChI is InChI=1S/C18H26N2O/c21-18(19-15-9-3-1-4-10-15)16-11-5-6-12-17(16)20-13-7-2-8-14-20/h1,3-4,9-10,16-17H,2,5-8,11-14H2,(H,19,21)/t16-,17-/m1/s1.
What are the key properties of trans-(1R,2R)-N-phenyl-2-piperidin-1-ylcyclohexane-1-carboxamide?
trans-(1R,2R)-N-phenyl-2-piperidin-1-ylcyclohexane-1-carboxamide has a molecular weight of 286.42 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-phenyl-2-piperidin-1-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 125470128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).