azepan-1-yl-(2-methylphenyl)methanone

C14H19NO — CID 4616576

IUPACazepan-1-yl-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)N1CCCCCC1
InChIInChI=1S/C14H19NO/c1-12-8-4-5-9-13(12)14(16)15-10-6-2-3-7-11-15/h4-5,8-9H,2-3,6-7,10-11H2,1H3
InChIKeyLZIYLXXGXSEVBK-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.01
Rot. Bonds1

About azepan-1-yl-(2-methylphenyl)methanone

azepan-1-yl-(2-methylphenyl)methanone (PubChem CID 4616576) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is azepan-1-yl-(2-methylphenyl)methanone.

Molecular Properties

Compound Nameazepan-1-yl-(2-methylphenyl)methanone
PubChem CID4616576
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Nameazepan-1-yl-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)N1CCCCCC1
InChIInChI=1S/C14H19NO/c1-12-8-4-5-9-13(12)14(16)15-10-6-2-3-7-11-15/h4-5,8-9H,2-3,6-7,10-11H2,1H3
InChIKeyLZIYLXXGXSEVBK-UHFFFAOYSA-N
XLogP3.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(2-methylbenzoyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 70845735
(2-methylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 904148
azepan-1-yl-(2-bromo-3-methylphenyl)methanone
CID 103852629
1-(2-methylbenzoyl)-4-piperidin-1-ylpiperidine-4-carboxamide
CID 715754
[2-(piperidine-1-carbonyl)phenyl]boronic acid
CID 90477220
(4-deuteriopiperazin-1-yl)-(2-methylphenyl)methanone
CID 175795423
N-[1-(2-methylbenzoyl)piperidin-4-yl]cyclohexanecarboxamide
CID 51096408
(2-methylphenyl)-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110798106
(2-methylphenyl)-[4-(3,4,5-trihydroxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 108545755
2-methyl-N-[1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide
CID 46019100
ethyl 4-(2-methylbenzoyl)piperazine-1-carboxylate
CID 969363
(4-aminopiperidin-1-yl)-(2-methylphenyl)methanone;hydrochloride
CID 119372796

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-(2-methylphenyl)methanone?
The IUPAC name of azepan-1-yl-(2-methylphenyl)methanone (CID 4616576) is azepan-1-yl-(2-methylphenyl)methanone.
What is the SMILES notation for azepan-1-yl-(2-methylphenyl)methanone?
The canonical SMILES for azepan-1-yl-(2-methylphenyl)methanone is Cc1ccccc1C(=O)N1CCCCCC1.
What is the InChIKey of azepan-1-yl-(2-methylphenyl)methanone?
The InChIKey is LZIYLXXGXSEVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-12-8-4-5-9-13(12)14(16)15-10-6-2-3-7-11-15/h4-5,8-9H,2-3,6-7,10-11H2,1H3.
What are the key properties of azepan-1-yl-(2-methylphenyl)methanone?
azepan-1-yl-(2-methylphenyl)methanone has a molecular weight of 217.31 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-(2-methylphenyl)methanone is sourced from PubChem (CID 4616576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).