[(1R,2R)-2-(4-methoxyanilino)cyclohexyl]-piperidin-1-ylmethanone

C19H28N2O2 — CID 125474268

IUPAC[(1R,2R)-2-(4-methoxyanilino)cyclohexyl]-piperidin-1-ylmethanone
SMILESCOc1ccc(N[C@@H]2CCCC[C@H]2C(=O)N2CCCCC2)cc1
InChIInChI=1S/C19H28N2O2/c1-23-16-11-9-15(10-12-16)20-18-8-4-3-7-17(18)19(22)21-13-5-2-6-14-21/h9-12,17-18,20H,2-8,13-14H2,1H3/t17-,18-/m1/s1
InChIKeyRNRFPCCSPSLMPE-QZTJIDSGSA-N
MW316.44 g/mol
LogP3.68
Rot. Bonds4

About [(1R,2R)-2-(4-methoxyanilino)cyclohexyl]-piperidin-1-ylmethanone

[(1R,2R)-2-(4-methoxyanilino)cyclohexyl]-piperidin-1-ylmethanone (PubChem CID 125474268) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is [(1R,2R)-2-(4-methoxyanilino)cyclohexyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[(1R,2R)-2-(4-methoxyanilino)cyclohexyl]-piperidin-1-ylmethanone
PubChem CID125474268
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name[(1R,2R)-2-(4-methoxyanilino)cyclohexyl]-piperidin-1-ylmethanone
SMILESCOc1ccc(N[C@@H]2CCCC[C@H]2C(=O)N2CCCCC2)cc1
InChIInChI=1S/C19H28N2O2/c1-23-16-11-9-15(10-12-16)20-18-8-4-3-7-17(18)19(22)21-13-5-2-6-14-21/h9-12,17-18,20H,2-8,13-14H2,1H3/t17-,18-/m1/s1
InChIKeyRNRFPCCSPSLMPE-QZTJIDSGSA-N
XLogP3.68
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

trans-(1R,2R)-2-(4-methoxyanilino)cyclooctan-1-ol
CID 15891180
(1R,6S)-N-(4-methoxyphenyl)-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxamide
CID 728952
N-(4-methoxyphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145697
(3S)-N-(4-methoxyphenyl)-3-(pyrrolidine-1-carbonyl)piperidine-1-carbothioamide
CID 1257728
cyclohexyl-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110398878
1-(cyclobutanecarbonyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 113007524
1-(4-methoxyphenyl)-3-[4-(piperidine-1-carbonyl)phenyl]urea
CID 1289713
2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-[(4-methoxyphenyl)carbamoyl]acetamide
CID 26666754
N-(4-methoxyphenyl)cyclooctanamine
CID 29275692
2-(4-methoxyanilino)cycloheptane-1-carbonitrile
CID 55114320
cyclohexyl-[3-(4-methoxyphenyl)azepan-1-yl]methanone
CID 121146925
N-(4-methoxyphenyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109134248

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-(4-methoxyanilino)cyclohexyl]-piperidin-1-ylmethanone?
The IUPAC name of [(1R,2R)-2-(4-methoxyanilino)cyclohexyl]-piperidin-1-ylmethanone (CID 125474268) is [(1R,2R)-2-(4-methoxyanilino)cyclohexyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [(1R,2R)-2-(4-methoxyanilino)cyclohexyl]-piperidin-1-ylmethanone?
The canonical SMILES for [(1R,2R)-2-(4-methoxyanilino)cyclohexyl]-piperidin-1-ylmethanone is COc1ccc(N[C@@H]2CCCC[C@H]2C(=O)N2CCCCC2)cc1.
What is the InChIKey of [(1R,2R)-2-(4-methoxyanilino)cyclohexyl]-piperidin-1-ylmethanone?
The InChIKey is RNRFPCCSPSLMPE-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-23-16-11-9-15(10-12-16)20-18-8-4-3-7-17(18)19(22)21-13-5-2-6-14-21/h9-12,17-18,20H,2-8,13-14H2,1H3/t17-,18-/m1/s1.
What are the key properties of [(1R,2R)-2-(4-methoxyanilino)cyclohexyl]-piperidin-1-ylmethanone?
[(1R,2R)-2-(4-methoxyanilino)cyclohexyl]-piperidin-1-ylmethanone has a molecular weight of 316.44 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-(4-methoxyanilino)cyclohexyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 125474268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).