4-[(2-chlorophenyl)methyl]-1-cyclopentyl-1,4-diazepan-5-one

C17H23ClN2O — CID 42168054

IUPAC4-[(2-chlorophenyl)methyl]-1-cyclopentyl-1,4-diazepan-5-one
SMILESO=C1CCN(C2CCCC2)CCN1Cc1ccccc1Cl
InChIInChI=1S/C17H23ClN2O/c18-16-8-4-1-5-14(16)13-20-12-11-19(10-9-17(20)21)15-6-2-3-7-15/h1,4-5,8,15H,2-3,6-7,9-13H2
InChIKeyABXCIDSWWSRRMG-UHFFFAOYSA-N
MW306.84 g/mol
LogP3.32
Rot. Bonds3

About 4-[(2-chlorophenyl)methyl]-1-cyclopentyl-1,4-diazepan-5-one

4-[(2-chlorophenyl)methyl]-1-cyclopentyl-1,4-diazepan-5-one (PubChem CID 42168054) has the molecular formula C17H23ClN2O and a molecular weight of 306.84 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methyl]-1-cyclopentyl-1,4-diazepan-5-one.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methyl]-1-cyclopentyl-1,4-diazepan-5-one
PubChem CID42168054
Molecular FormulaC17H23ClN2O
Molecular Weight306.84 g/mol
Exact Mass306.15
IUPAC Name4-[(2-chlorophenyl)methyl]-1-cyclopentyl-1,4-diazepan-5-one
SMILESO=C1CCN(C2CCCC2)CCN1Cc1ccccc1Cl
InChIInChI=1S/C17H23ClN2O/c18-16-8-4-1-5-14(16)13-20-12-11-19(10-9-17(20)21)15-6-2-3-7-15/h1,4-5,8,15H,2-3,6-7,9-13H2
InChIKeyABXCIDSWWSRRMG-UHFFFAOYSA-N
XLogP3.32
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-chlorophenyl)methyl]-4-cyclopentylpiperazine;oxalic acid
CID 17366702
2-[(2-chlorophenyl)methyl]-4-(4-cyclopentylpiperazin-1-yl)isoindole-1,3-dione
CID 42484756
1-cyclopentyl-4-(cyclopropylmethyl)-1,4-diazepan-5-one
CID 26344581
1-[4-[(2-chlorophenyl)methyl]-5-oxo-1,4-diazepan-1-yl]-2-phenylethane-1,2-dione
CID 26317434
(9aS)-2-[(2-chlorophenyl)methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 124738363
1-(2-chlorophenyl)-N-(4-cyclopentylpiperazin-1-yl)methanesulfonamide;hydrochloride
CID 163331891
2-[(2-chlorophenyl)methyl]-1-cyclohexyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 2867916
1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-4-methyl-1,4-diazepane
CID 118887253
2-[(2-chlorophenyl)methyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 3775560
3-[(2-chlorophenyl)methyl]-5-(4-cyclohexylpiperazine-1-carbonyl)-1H-pyrimidine-2,4-dione
CID 121027330
ethyl 2-[[1-[(2-chlorophenyl)methyl]-7-oxoazepan-4-yl]-methylamino]acetate
CID 126465260
1-[(2-chlorophenyl)methyl]-6-cyclohexyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
CID 7711053

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methyl]-1-cyclopentyl-1,4-diazepan-5-one?
The IUPAC name of 4-[(2-chlorophenyl)methyl]-1-cyclopentyl-1,4-diazepan-5-one (CID 42168054) is 4-[(2-chlorophenyl)methyl]-1-cyclopentyl-1,4-diazepan-5-one.
What is the SMILES notation for 4-[(2-chlorophenyl)methyl]-1-cyclopentyl-1,4-diazepan-5-one?
The canonical SMILES for 4-[(2-chlorophenyl)methyl]-1-cyclopentyl-1,4-diazepan-5-one is O=C1CCN(C2CCCC2)CCN1Cc1ccccc1Cl.
What is the InChIKey of 4-[(2-chlorophenyl)methyl]-1-cyclopentyl-1,4-diazepan-5-one?
The InChIKey is ABXCIDSWWSRRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O/c18-16-8-4-1-5-14(16)13-20-12-11-19(10-9-17(20)21)15-6-2-3-7-15/h1,4-5,8,15H,2-3,6-7,9-13H2.
What are the key properties of 4-[(2-chlorophenyl)methyl]-1-cyclopentyl-1,4-diazepan-5-one?
4-[(2-chlorophenyl)methyl]-1-cyclopentyl-1,4-diazepan-5-one has a molecular weight of 306.84 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)methyl]-1-cyclopentyl-1,4-diazepan-5-one is sourced from PubChem (CID 42168054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).