2-cyclopentyl-1-[4-[(2-methoxyphenyl)methyl]-1,4-diazepan-1-yl]ethanone

C20H30N2O2 — CID 136519424

IUPAC2-cyclopentyl-1-[4-[(2-methoxyphenyl)methyl]-1,4-diazepan-1-yl]ethanone
SMILESCOc1ccccc1CN1CCCN(C(=O)CC2CCCC2)CC1
InChIInChI=1S/C20H30N2O2/c1-24-19-10-5-4-9-18(19)16-21-11-6-12-22(14-13-21)20(23)15-17-7-2-3-8-17/h4-5,9-10,17H,2-3,6-8,11-16H2,1H3
InChIKeyVKNGZSZWFXEFAW-UHFFFAOYSA-N
MW330.47 g/mol
LogP3.31
Rot. Bonds5

About 2-cyclopentyl-1-[4-[(2-methoxyphenyl)methyl]-1,4-diazepan-1-yl]ethanone

2-cyclopentyl-1-[4-[(2-methoxyphenyl)methyl]-1,4-diazepan-1-yl]ethanone (PubChem CID 136519424) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 2-cyclopentyl-1-[4-[(2-methoxyphenyl)methyl]-1,4-diazepan-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-[4-[(2-methoxyphenyl)methyl]-1,4-diazepan-1-yl]ethanone
PubChem CID136519424
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name2-cyclopentyl-1-[4-[(2-methoxyphenyl)methyl]-1,4-diazepan-1-yl]ethanone
SMILESCOc1ccccc1CN1CCCN(C(=O)CC2CCCC2)CC1
InChIInChI=1S/C20H30N2O2/c1-24-19-10-5-4-9-18(19)16-21-11-6-12-22(14-13-21)20(23)15-17-7-2-3-8-17/h4-5,9-10,17H,2-3,6-8,11-16H2,1H3
InChIKeyVKNGZSZWFXEFAW-UHFFFAOYSA-N
XLogP3.31
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1R,2S)-2-hydroxycyclohexyl]-1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 100678175
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 119876167
2-cyclohexyl-1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 55330434
2-[(1S)-cyclopent-2-en-1-yl]-1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 95299608
cyclopentyl-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110398973
(2-hydroxycyclopentyl)-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110014493
N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-4-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 126431258
1-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]ethanone
CID 63845803
1-benzyl-4-[(2-methoxyphenyl)methyl]-1,4-diazepane
CID 112808306
4-[(2-methoxyphenyl)methyl]-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]piperazine-1-carboxamide
CID 122564788
1-[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]-2-(2-methoxyphenyl)ethanone
CID 110799375
1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-4-phenoxybutan-1-one
CID 110398993

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[4-[(2-methoxyphenyl)methyl]-1,4-diazepan-1-yl]ethanone?
The IUPAC name of 2-cyclopentyl-1-[4-[(2-methoxyphenyl)methyl]-1,4-diazepan-1-yl]ethanone (CID 136519424) is 2-cyclopentyl-1-[4-[(2-methoxyphenyl)methyl]-1,4-diazepan-1-yl]ethanone.
What is the SMILES notation for 2-cyclopentyl-1-[4-[(2-methoxyphenyl)methyl]-1,4-diazepan-1-yl]ethanone?
The canonical SMILES for 2-cyclopentyl-1-[4-[(2-methoxyphenyl)methyl]-1,4-diazepan-1-yl]ethanone is COc1ccccc1CN1CCCN(C(=O)CC2CCCC2)CC1.
What is the InChIKey of 2-cyclopentyl-1-[4-[(2-methoxyphenyl)methyl]-1,4-diazepan-1-yl]ethanone?
The InChIKey is VKNGZSZWFXEFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-24-19-10-5-4-9-18(19)16-21-11-6-12-22(14-13-21)20(23)15-17-7-2-3-8-17/h4-5,9-10,17H,2-3,6-8,11-16H2,1H3.
What are the key properties of 2-cyclopentyl-1-[4-[(2-methoxyphenyl)methyl]-1,4-diazepan-1-yl]ethanone?
2-cyclopentyl-1-[4-[(2-methoxyphenyl)methyl]-1,4-diazepan-1-yl]ethanone has a molecular weight of 330.47 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[4-[(2-methoxyphenyl)methyl]-1,4-diazepan-1-yl]ethanone is sourced from PubChem (CID 136519424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).