phenyl-[(2R)-2-piperidin-4-ylazepan-1-yl]methanone

C18H26N2O — CID 95241507

IUPACphenyl-[(2R)-2-piperidin-4-ylazepan-1-yl]methanone
SMILESO=C(c1ccccc1)N1CCCCC[C@@H]1C1CCNCC1
InChIInChI=1S/C18H26N2O/c21-18(16-7-3-1-4-8-16)20-14-6-2-5-9-17(20)15-10-12-19-13-11-15/h1,3-4,7-8,15,17,19H,2,5-6,9-14H2/t17-/m1/s1
InChIKeyMYUHGBSBVHUTSZ-QGZVFWFLSA-N
MW286.42 g/mol
LogP3.07
Rot. Bonds2

About phenyl-[(2R)-2-piperidin-4-ylazepan-1-yl]methanone

phenyl-[(2R)-2-piperidin-4-ylazepan-1-yl]methanone (PubChem CID 95241507) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is phenyl-[(2R)-2-piperidin-4-ylazepan-1-yl]methanone.

Molecular Properties

Compound Namephenyl-[(2R)-2-piperidin-4-ylazepan-1-yl]methanone
PubChem CID95241507
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Namephenyl-[(2R)-2-piperidin-4-ylazepan-1-yl]methanone
SMILESO=C(c1ccccc1)N1CCCCC[C@@H]1C1CCNCC1
InChIInChI=1S/C18H26N2O/c21-18(16-7-3-1-4-8-16)20-14-6-2-5-9-17(20)15-10-12-19-13-11-15/h1,3-4,7-8,15,17,19H,2,5-6,9-14H2/t17-/m1/s1
InChIKeyMYUHGBSBVHUTSZ-QGZVFWFLSA-N
XLogP3.07
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-methylphenyl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone
CID 60979228
(2,6-dihydroxyphenyl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone
CID 107688521
(2-hydroxypiperidin-1-yl)-phenylmethanone
CID 14920288
(2-fluorophenyl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone
CID 60978270
(2S)-2-piperidin-4-ylpyrrolidine-1-carboxylic acid
CID 134348850
4-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)benzoic acid
CID 81360754
4-[(2S)-2-cyclobutylpyrrolidine-1-carbonyl]benzoic acid
CID 124701022
phenyl-[(2R)-2-(1-quinoxalin-2-ylpiperidin-4-yl)azepan-1-yl]methanone
CID 95346656
5-[4-(1-benzoylazepan-2-yl)piperidine-1-carbonyl]-2-hydroxybenzaldehyde
CID 167766018
3-phenyl-1-[(2S)-2-piperidin-4-ylpyrrolidin-1-yl]propan-1-one
CID 93394731
(2-cyclopropylpyrrolidin-1-yl)-(4-fluorophenyl)methanone
CID 110871773
3,4,4a,5,8,8a-hexahydro-2H-quinolin-1-yl(phenyl)methanone
CID 21310591

Frequently Asked Questions

What is the IUPAC name of phenyl-[(2R)-2-piperidin-4-ylazepan-1-yl]methanone?
The IUPAC name of phenyl-[(2R)-2-piperidin-4-ylazepan-1-yl]methanone (CID 95241507) is phenyl-[(2R)-2-piperidin-4-ylazepan-1-yl]methanone.
What is the SMILES notation for phenyl-[(2R)-2-piperidin-4-ylazepan-1-yl]methanone?
The canonical SMILES for phenyl-[(2R)-2-piperidin-4-ylazepan-1-yl]methanone is O=C(c1ccccc1)N1CCCCC[C@@H]1C1CCNCC1.
What is the InChIKey of phenyl-[(2R)-2-piperidin-4-ylazepan-1-yl]methanone?
The InChIKey is MYUHGBSBVHUTSZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H26N2O/c21-18(16-7-3-1-4-8-16)20-14-6-2-5-9-17(20)15-10-12-19-13-11-15/h1,3-4,7-8,15,17,19H,2,5-6,9-14H2/t17-/m1/s1.
What are the key properties of phenyl-[(2R)-2-piperidin-4-ylazepan-1-yl]methanone?
phenyl-[(2R)-2-piperidin-4-ylazepan-1-yl]methanone has a molecular weight of 286.42 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[(2R)-2-piperidin-4-ylazepan-1-yl]methanone is sourced from PubChem (CID 95241507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).