1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]azepan-2-one

C19H28N2O2 — CID 134794419

IUPAC1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]azepan-2-one
SMILESCOc1ccc(CN2CCC(N3CCCCCC3=O)CC2)cc1
InChIInChI=1S/C19H28N2O2/c1-23-18-8-6-16(7-9-18)15-20-13-10-17(11-14-20)21-12-4-2-3-5-19(21)22/h6-9,17H,2-5,10-15H2,1H3
InChIKeyCROZUXAVHYVJDU-UHFFFAOYSA-N
MW316.44 g/mol
LogP3.06
Rot. Bonds4

About 1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]azepan-2-one

1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]azepan-2-one (PubChem CID 134794419) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is 1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]azepan-2-one.

Molecular Properties

Compound Name1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]azepan-2-one
PubChem CID134794419
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]azepan-2-one
SMILESCOc1ccc(CN2CCC(N3CCCCCC3=O)CC2)cc1
InChIInChI=1S/C19H28N2O2/c1-23-18-8-6-16(7-9-18)15-20-13-10-17(11-14-20)21-12-4-2-3-5-19(21)22/h6-9,17H,2-5,10-15H2,1H3
InChIKeyCROZUXAVHYVJDU-UHFFFAOYSA-N
XLogP3.06
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]azepan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(thiophen-3-ylmethyl)piperidin-4-yl]azepan-2-one
CID 134795587
[1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 25455222
9-[(4-methoxyphenyl)methyl]-2-[(3S)-1-methylpyrrolidin-3-yl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97137091
1,4,7-tris[(4-methoxyphenyl)methyl]-1,4,7-triazecane
CID 66887441
4-ethyl-1-[(4-methoxyphenyl)methyl]piperidine
CID 23381464
cyclohexyl-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110398878
1-cyclohexyl-4-[[4-(4-methoxyphenyl)sulfonylphenyl]methyl]piperazine
CID 178026947
1-(cyclohexylmethyl)-9-[(4-methoxyphenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 131681505
1-[[4-(4-methoxyphenoxy)phenyl]methyl]piperidine-4-carboxamide
CID 75504045
(3R,9R)-11-[(4-methoxyphenyl)methyl]-1,7,11-triazatricyclo[7.4.0.03,7]tridecane-2,8-dione
CID 126462027
1-[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-4-yl]pyrrolidin-2-one
CID 126899404
(8aR)-7-[(4-methoxyphenyl)methyl]-2-(oxan-4-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
CID 75368656

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]azepan-2-one?
The IUPAC name of 1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]azepan-2-one (CID 134794419) is 1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]azepan-2-one.
What is the SMILES notation for 1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]azepan-2-one?
The canonical SMILES for 1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]azepan-2-one is COc1ccc(CN2CCC(N3CCCCCC3=O)CC2)cc1.
What is the InChIKey of 1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]azepan-2-one?
The InChIKey is CROZUXAVHYVJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-23-18-8-6-16(7-9-18)15-20-13-10-17(11-14-20)21-12-4-2-3-5-19(21)22/h6-9,17H,2-5,10-15H2,1H3.
What are the key properties of 1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]azepan-2-one?
1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]azepan-2-one has a molecular weight of 316.44 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]azepan-2-one is sourced from PubChem (CID 134794419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).