5-(azepane-1-carbonyl)-1-[(3-methoxyphenyl)methyl]piperidin-2-one

C20H28N2O3 — CID 24790814

IUPAC5-(azepane-1-carbonyl)-1-[(3-methoxyphenyl)methyl]piperidin-2-one
SMILESCOc1cccc(CN2CC(C(=O)N3CCCCCC3)CCC2=O)c1
InChIInChI=1S/C20H28N2O3/c1-25-18-8-6-7-16(13-18)14-22-15-17(9-10-19(22)23)20(24)21-11-4-2-3-5-12-21/h6-8,13,17H,2-5,9-12,14-15H2,1H3
InChIKeyAMFQINGULLGYEA-UHFFFAOYSA-N
MW344.45 g/mol
LogP2.84
Rot. Bonds4

About 5-(azepane-1-carbonyl)-1-[(3-methoxyphenyl)methyl]piperidin-2-one

5-(azepane-1-carbonyl)-1-[(3-methoxyphenyl)methyl]piperidin-2-one (PubChem CID 24790814) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is 5-(azepane-1-carbonyl)-1-[(3-methoxyphenyl)methyl]piperidin-2-one.

Molecular Properties

Compound Name5-(azepane-1-carbonyl)-1-[(3-methoxyphenyl)methyl]piperidin-2-one
PubChem CID24790814
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC Name5-(azepane-1-carbonyl)-1-[(3-methoxyphenyl)methyl]piperidin-2-one
SMILESCOc1cccc(CN2CC(C(=O)N3CCCCCC3)CCC2=O)c1
InChIInChI=1S/C20H28N2O3/c1-25-18-8-6-7-16(13-18)14-22-15-17(9-10-19(22)23)20(24)21-11-4-2-3-5-12-21/h6-8,13,17H,2-5,9-12,14-15H2,1H3
InChIKeyAMFQINGULLGYEA-UHFFFAOYSA-N
XLogP2.84
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3S)-1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonyl]piperazin-2-one
CID 29022609
4-[1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonyl]piperazin-2-one
CID 45241287
4-[(3R)-1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonyl]piperazin-2-one
CID 29022610
(5S)-1-[(3-methoxyphenyl)methyl]-5-(4-pyridin-3-yloxypiperidine-1-carbonyl)piperidin-2-one
CID 42532806
1-[(3-methoxyphenyl)methyl]-5-(spiro[indene-1,4'-piperidine]-1'-carbonyl)piperidin-2-one
CID 45222993
azepan-1-yl-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanone
CID 3796866
(5R)-5-(azepane-1-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one
CID 42593464
(4R)-4-(4-ethylpiperazine-1-carbonyl)-1-[(3-methoxyphenyl)methyl]pyrrolidin-2-one
CID 93017942
(5R)-1-cyclopentyl-5-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]piperidin-2-one
CID 29152851
(3S)-1-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 9146852
(4S)-1-[(3-methoxyphenyl)methyl]-4-[(2S)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 93017947
(4R)-1-[(3-methoxyphenyl)methyl]-4-[4-[(4-methylphenyl)methyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 93017912

Frequently Asked Questions

What is the IUPAC name of 5-(azepane-1-carbonyl)-1-[(3-methoxyphenyl)methyl]piperidin-2-one?
The IUPAC name of 5-(azepane-1-carbonyl)-1-[(3-methoxyphenyl)methyl]piperidin-2-one (CID 24790814) is 5-(azepane-1-carbonyl)-1-[(3-methoxyphenyl)methyl]piperidin-2-one.
What is the SMILES notation for 5-(azepane-1-carbonyl)-1-[(3-methoxyphenyl)methyl]piperidin-2-one?
The canonical SMILES for 5-(azepane-1-carbonyl)-1-[(3-methoxyphenyl)methyl]piperidin-2-one is COc1cccc(CN2CC(C(=O)N3CCCCCC3)CCC2=O)c1.
What is the InChIKey of 5-(azepane-1-carbonyl)-1-[(3-methoxyphenyl)methyl]piperidin-2-one?
The InChIKey is AMFQINGULLGYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-25-18-8-6-7-16(13-18)14-22-15-17(9-10-19(22)23)20(24)21-11-4-2-3-5-12-21/h6-8,13,17H,2-5,9-12,14-15H2,1H3.
What are the key properties of 5-(azepane-1-carbonyl)-1-[(3-methoxyphenyl)methyl]piperidin-2-one?
5-(azepane-1-carbonyl)-1-[(3-methoxyphenyl)methyl]piperidin-2-one has a molecular weight of 344.45 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azepane-1-carbonyl)-1-[(3-methoxyphenyl)methyl]piperidin-2-one is sourced from PubChem (CID 24790814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).