2-cyclopentyl-1-(4-methyl-1,4-diazepan-1-yl)-2-phenylethanone

C19H28N2O — CID 122664617

IUPAC2-cyclopentyl-1-(4-methyl-1,4-diazepan-1-yl)-2-phenylethanone
SMILESCN1CCCN(C(=O)C(c2ccccc2)C2CCCC2)CC1
InChIInChI=1S/C19H28N2O/c1-20-12-7-13-21(15-14-20)19(22)18(17-10-5-6-11-17)16-8-3-2-4-9-16/h2-4,8-9,17-18H,5-7,10-15H2,1H3
InChIKeyOHSYKAOOOWTRAP-UHFFFAOYSA-N
MW300.45 g/mol
LogP3.12
Rot. Bonds3

About 2-cyclopentyl-1-(4-methyl-1,4-diazepan-1-yl)-2-phenylethanone

2-cyclopentyl-1-(4-methyl-1,4-diazepan-1-yl)-2-phenylethanone (PubChem CID 122664617) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is 2-cyclopentyl-1-(4-methyl-1,4-diazepan-1-yl)-2-phenylethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-(4-methyl-1,4-diazepan-1-yl)-2-phenylethanone
PubChem CID122664617
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name2-cyclopentyl-1-(4-methyl-1,4-diazepan-1-yl)-2-phenylethanone
SMILESCN1CCCN(C(=O)C(c2ccccc2)C2CCCC2)CC1
InChIInChI=1S/C19H28N2O/c1-20-12-7-13-21(15-14-20)19(22)18(17-10-5-6-11-17)16-8-3-2-4-9-16/h2-4,8-9,17-18H,5-7,10-15H2,1H3
InChIKeyOHSYKAOOOWTRAP-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-Diethyl-2-phenylacetamide
CID 17076
1-(4-Ethylpiperazin-1-yl)-2-phenylethanone
CID 3328378
2-Phenyl-1-(3-phenylpyrrolidin-1-yl)ethanone
CID 4388725
1-(4-Ethylpiperazin-1-yl)-2-(4-methylphenyl)ethanone
CID 4438911
2-(3-Methylphenyl)-1-pyrrolidin-1-ylethanone
CID 6465185
N-[2-(Dimethylamino)ethyl]-2,2-diphenylacetamide
CID 422051
Acetamide, N-(2-(dimethylamino)ethyl)-2-phenyl-
CID 44430
Piperidine, 1-((1-phenylcyclopentyl)carbonyl)-
CID 778763
N,N-diethyl-2,2-diphenylacetamide
CID 229107
Spiro-carboxamide scaffold, 12
CID 44143298
N-[2-[tert-butyl(methyl)amino]ethyl]-N-methyl-2,2-diphenylacetamide
CID 1900319
N-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]-2-phenylacetamide
CID 2110505

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-(4-methyl-1,4-diazepan-1-yl)-2-phenylethanone?
The IUPAC name of 2-cyclopentyl-1-(4-methyl-1,4-diazepan-1-yl)-2-phenylethanone (CID 122664617) is 2-cyclopentyl-1-(4-methyl-1,4-diazepan-1-yl)-2-phenylethanone.
What is the SMILES notation for 2-cyclopentyl-1-(4-methyl-1,4-diazepan-1-yl)-2-phenylethanone?
The canonical SMILES for 2-cyclopentyl-1-(4-methyl-1,4-diazepan-1-yl)-2-phenylethanone is CN1CCCN(C(=O)C(c2ccccc2)C2CCCC2)CC1.
What is the InChIKey of 2-cyclopentyl-1-(4-methyl-1,4-diazepan-1-yl)-2-phenylethanone?
The InChIKey is OHSYKAOOOWTRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c1-20-12-7-13-21(15-14-20)19(22)18(17-10-5-6-11-17)16-8-3-2-4-9-16/h2-4,8-9,17-18H,5-7,10-15H2,1H3.
What are the key properties of 2-cyclopentyl-1-(4-methyl-1,4-diazepan-1-yl)-2-phenylethanone?
2-cyclopentyl-1-(4-methyl-1,4-diazepan-1-yl)-2-phenylethanone has a molecular weight of 300.45 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-(4-methyl-1,4-diazepan-1-yl)-2-phenylethanone is sourced from PubChem (CID 122664617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).