2-(4-butyl-1,4-diazepan-1-yl)-1-(4-cyclopentylpiperazin-1-yl)ethanone

C20H38N4O — CID 58826232

IUPAC2-(4-butyl-1,4-diazepan-1-yl)-1-(4-cyclopentylpiperazin-1-yl)ethanone
SMILESCCCCN1CCCN(CC(=O)N2CCN(C3CCCC3)CC2)CC1
InChIInChI=1S/C20H38N4O/c1-2-3-9-21-10-6-11-22(13-12-21)18-20(25)24-16-14-23(15-17-24)19-7-4-5-8-19/h19H,2-18H2,1H3
InChIKeySWSDMTMGAOJZEL-UHFFFAOYSA-N
MW350.55 g/mol
LogP1.88
Rot. Bonds6

About 2-(4-butyl-1,4-diazepan-1-yl)-1-(4-cyclopentylpiperazin-1-yl)ethanone

2-(4-butyl-1,4-diazepan-1-yl)-1-(4-cyclopentylpiperazin-1-yl)ethanone (PubChem CID 58826232) has the molecular formula C20H38N4O and a molecular weight of 350.55 g/mol. Its IUPAC name is 2-(4-butyl-1,4-diazepan-1-yl)-1-(4-cyclopentylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-butyl-1,4-diazepan-1-yl)-1-(4-cyclopentylpiperazin-1-yl)ethanone
PubChem CID58826232
Molecular FormulaC20H38N4O
Molecular Weight350.55 g/mol
Exact Mass350.30
IUPAC Name2-(4-butyl-1,4-diazepan-1-yl)-1-(4-cyclopentylpiperazin-1-yl)ethanone
SMILESCCCCN1CCCN(CC(=O)N2CCN(C3CCCC3)CC2)CC1
InChIInChI=1S/C20H38N4O/c1-2-3-9-21-10-6-11-22(13-12-21)18-20(25)24-16-14-23(15-17-24)19-7-4-5-8-19/h19H,2-18H2,1H3
InChIKeySWSDMTMGAOJZEL-UHFFFAOYSA-N
XLogP1.88
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.55
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-butyl-1,4-diazepan-1-yl)-1-(4-cyclopentylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(4-butyl-1,4-diazepan-1-yl)-1-(4-cyclopentylpiperazin-1-yl)ethanone (CID 58826232) is 2-(4-butyl-1,4-diazepan-1-yl)-1-(4-cyclopentylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(4-butyl-1,4-diazepan-1-yl)-1-(4-cyclopentylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(4-butyl-1,4-diazepan-1-yl)-1-(4-cyclopentylpiperazin-1-yl)ethanone is CCCCN1CCCN(CC(=O)N2CCN(C3CCCC3)CC2)CC1.
What is the InChIKey of 2-(4-butyl-1,4-diazepan-1-yl)-1-(4-cyclopentylpiperazin-1-yl)ethanone?
The InChIKey is SWSDMTMGAOJZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N4O/c1-2-3-9-21-10-6-11-22(13-12-21)18-20(25)24-16-14-23(15-17-24)19-7-4-5-8-19/h19H,2-18H2,1H3.
What are the key properties of 2-(4-butyl-1,4-diazepan-1-yl)-1-(4-cyclopentylpiperazin-1-yl)ethanone?
2-(4-butyl-1,4-diazepan-1-yl)-1-(4-cyclopentylpiperazin-1-yl)ethanone has a molecular weight of 350.55 g/mol, XLogP of 1.88, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butyl-1,4-diazepan-1-yl)-1-(4-cyclopentylpiperazin-1-yl)ethanone is sourced from PubChem (CID 58826232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).