(4-benzyl-1,4-diazepan-1-yl)-cyclopentylmethanone

C18H26N2O — CID 23939190

IUPAC(4-benzyl-1,4-diazepan-1-yl)-cyclopentylmethanone
SMILESO=C(C1CCCC1)N1CCCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H26N2O/c21-18(17-9-4-5-10-17)20-12-6-11-19(13-14-20)15-16-7-2-1-3-8-16/h1-3,7-8,17H,4-6,9-15H2
InChIKeyZHMGIVQOYXRBET-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.91
Rot. Bonds3

About (4-benzyl-1,4-diazepan-1-yl)-cyclopentylmethanone

(4-benzyl-1,4-diazepan-1-yl)-cyclopentylmethanone (PubChem CID 23939190) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is (4-benzyl-1,4-diazepan-1-yl)-cyclopentylmethanone.

Molecular Properties

Compound Name(4-benzyl-1,4-diazepan-1-yl)-cyclopentylmethanone
PubChem CID23939190
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name(4-benzyl-1,4-diazepan-1-yl)-cyclopentylmethanone
SMILESO=C(C1CCCC1)N1CCCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H26N2O/c21-18(17-9-4-5-10-17)20-12-6-11-19(13-14-20)15-16-7-2-1-3-8-16/h1-3,7-8,17H,4-6,9-15H2
InChIKeyZHMGIVQOYXRBET-UHFFFAOYSA-N
XLogP2.91
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopentyl-[4-[(3-iodophenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 23969373
[(3R)-1-benzylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 756196
azepan-1-yl-[(3R)-1-benzylpiperidin-3-yl]methanone
CID 756185
(4-benzylpiperazin-1-yl)-[(3R)-1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]methanone
CID 93491661
(4-benzylpiperazin-1-yl)-(thian-3-yl)methanone
CID 110853087
1-[3-(4-benzylpiperazine-1-carbonyl)piperidin-1-yl]-2,2,2-trifluoroethanone
CID 110344229
N-benzyl-2-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]acetamide
CID 137341250
(1-benzylpyrrolidin-3-yl)-pyrrolidin-1-ylmethanone
CID 67294243
(4-benzyl-1,4-diazepan-1-yl)-[1-(2-nitrophenyl)piperidin-4-yl]methanone
CID 16613193
1-[4-(4-benzyl-1,4-diazepane-1-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one
CID 55856431
2-(4-benzyl-1,4-diazepan-1-yl)-2-oxoacetic acid
CID 141207482
cyclopropyl-[4-[(3-iodophenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 23828867

Frequently Asked Questions

What is the IUPAC name of (4-benzyl-1,4-diazepan-1-yl)-cyclopentylmethanone?
The IUPAC name of (4-benzyl-1,4-diazepan-1-yl)-cyclopentylmethanone (CID 23939190) is (4-benzyl-1,4-diazepan-1-yl)-cyclopentylmethanone.
What is the SMILES notation for (4-benzyl-1,4-diazepan-1-yl)-cyclopentylmethanone?
The canonical SMILES for (4-benzyl-1,4-diazepan-1-yl)-cyclopentylmethanone is O=C(C1CCCC1)N1CCCN(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzyl-1,4-diazepan-1-yl)-cyclopentylmethanone?
The InChIKey is ZHMGIVQOYXRBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c21-18(17-9-4-5-10-17)20-12-6-11-19(13-14-20)15-16-7-2-1-3-8-16/h1-3,7-8,17H,4-6,9-15H2.
What are the key properties of (4-benzyl-1,4-diazepan-1-yl)-cyclopentylmethanone?
(4-benzyl-1,4-diazepan-1-yl)-cyclopentylmethanone has a molecular weight of 286.42 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzyl-1,4-diazepan-1-yl)-cyclopentylmethanone is sourced from PubChem (CID 23939190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).