azepan-1-yl-[(3R)-1-benzylpiperidin-3-yl]methanone

C19H28N2O — CID 756185

IUPACazepan-1-yl-[(3R)-1-benzylpiperidin-3-yl]methanone
SMILESO=C([C@@H]1CCCN(Cc2ccccc2)C1)N1CCCCCC1
InChIInChI=1S/C19H28N2O/c22-19(21-13-6-1-2-7-14-21)18-11-8-12-20(16-18)15-17-9-4-3-5-10-17/h3-5,9-10,18H,1-2,6-8,11-16H2/t18-/m1/s1
InChIKeyPQPLMGHJWCVCQL-GOSISDBHSA-N
MW300.45 g/mol
LogP3.30
Rot. Bonds3

About azepan-1-yl-[(3R)-1-benzylpiperidin-3-yl]methanone

azepan-1-yl-[(3R)-1-benzylpiperidin-3-yl]methanone (PubChem CID 756185) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is azepan-1-yl-[(3R)-1-benzylpiperidin-3-yl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[(3R)-1-benzylpiperidin-3-yl]methanone
PubChem CID756185
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Nameazepan-1-yl-[(3R)-1-benzylpiperidin-3-yl]methanone
SMILESO=C([C@@H]1CCCN(Cc2ccccc2)C1)N1CCCCCC1
InChIInChI=1S/C19H28N2O/c22-19(21-13-6-1-2-7-14-21)18-11-8-12-20(16-18)15-17-9-4-3-5-10-17/h3-5,9-10,18H,1-2,6-8,11-16H2/t18-/m1/s1
InChIKeyPQPLMGHJWCVCQL-GOSISDBHSA-N
XLogP3.30
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(3R)-1-benzylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 756196
(1-benzylpyrrolidin-3-yl)-pyrrolidin-1-ylmethanone
CID 67294243
(3R)-1-[(3R)-1-benzylpiperidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 124778099
(1-benzylpiperidin-3-yl)-piperazin-1-ylmethanone
CID 119915515
[1-[(4-methylphenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone
CID 2930824
[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride
CID 163326469
(4-benzylpiperazin-1-yl)-[(3R)-1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]methanone
CID 93491661
azocan-1-yl-[1-(1-benzylpiperidin-4-yl)piperidin-3-yl]methanone
CID 45192001
1-benzylpiperidine-3-carbonyl chloride
CID 22006205
azepan-1-yl-[1-[(3-phenoxyphenyl)methyl]piperidin-3-yl]methanone;oxalic acid
CID 90484118
(4-benzyl-1,4-diazepan-1-yl)-cyclopentylmethanone
CID 23939190
azepan-1-yl-[1-(1-benzylpiperidin-4-yl)piperidin-3-yl]methanone;oxalic acid
CID 90483690

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[(3R)-1-benzylpiperidin-3-yl]methanone?
The IUPAC name of azepan-1-yl-[(3R)-1-benzylpiperidin-3-yl]methanone (CID 756185) is azepan-1-yl-[(3R)-1-benzylpiperidin-3-yl]methanone.
What is the SMILES notation for azepan-1-yl-[(3R)-1-benzylpiperidin-3-yl]methanone?
The canonical SMILES for azepan-1-yl-[(3R)-1-benzylpiperidin-3-yl]methanone is O=C([C@@H]1CCCN(Cc2ccccc2)C1)N1CCCCCC1.
What is the InChIKey of azepan-1-yl-[(3R)-1-benzylpiperidin-3-yl]methanone?
The InChIKey is PQPLMGHJWCVCQL-GOSISDBHSA-N. The full InChI is InChI=1S/C19H28N2O/c22-19(21-13-6-1-2-7-14-21)18-11-8-12-20(16-18)15-17-9-4-3-5-10-17/h3-5,9-10,18H,1-2,6-8,11-16H2/t18-/m1/s1.
What are the key properties of azepan-1-yl-[(3R)-1-benzylpiperidin-3-yl]methanone?
azepan-1-yl-[(3R)-1-benzylpiperidin-3-yl]methanone has a molecular weight of 300.45 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[(3R)-1-benzylpiperidin-3-yl]methanone is sourced from PubChem (CID 756185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).