1-(4-benzylpiperazin-1-yl)-2-[cyclopentyl(propan-2-yl)amino]ethanone

C21H33N3O — CID 56570110

IUPAC1-(4-benzylpiperazin-1-yl)-2-[cyclopentyl(propan-2-yl)amino]ethanone
SMILESCC(C)N(CC(=O)N1CCN(Cc2ccccc2)CC1)C1CCCC1
InChIInChI=1S/C21H33N3O/c1-18(2)24(20-10-6-7-11-20)17-21(25)23-14-12-22(13-15-23)16-19-8-4-3-5-9-19/h3-5,8-9,18,20H,6-7,10-17H2,1-2H3
InChIKeyUSWSPALEIRENAS-UHFFFAOYSA-N
MW343.51 g/mol
LogP2.98
Rot. Bonds6

About 1-(4-benzylpiperazin-1-yl)-2-[cyclopentyl(propan-2-yl)amino]ethanone

1-(4-benzylpiperazin-1-yl)-2-[cyclopentyl(propan-2-yl)amino]ethanone (PubChem CID 56570110) has the molecular formula C21H33N3O and a molecular weight of 343.51 g/mol. Its IUPAC name is 1-(4-benzylpiperazin-1-yl)-2-[cyclopentyl(propan-2-yl)amino]ethanone.

Molecular Properties

Compound Name1-(4-benzylpiperazin-1-yl)-2-[cyclopentyl(propan-2-yl)amino]ethanone
PubChem CID56570110
Molecular FormulaC21H33N3O
Molecular Weight343.51 g/mol
Exact Mass343.26
IUPAC Name1-(4-benzylpiperazin-1-yl)-2-[cyclopentyl(propan-2-yl)amino]ethanone
SMILESCC(C)N(CC(=O)N1CCN(Cc2ccccc2)CC1)C1CCCC1
InChIInChI=1S/C21H33N3O/c1-18(2)24(20-10-6-7-11-20)17-21(25)23-14-12-22(13-15-23)16-19-8-4-3-5-9-19/h3-5,8-9,18,20H,6-7,10-17H2,1-2H3
InChIKeyUSWSPALEIRENAS-UHFFFAOYSA-N
XLogP2.98
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.51
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(2-methylpropyl)methanesulfonamide
CID 113148481
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(4-propan-2-ylphenyl)methanesulfonamide
CID 1135728
1-(4-benzylpiperazin-1-yl)-2-[dimethylsulfamoyl(methyl)amino]ethanone
CID 100785212
N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-cyclopropylacetamide
CID 113115363
1,3-bis(4-benzylpiperazin-1-yl)propane-1,3-dione
CID 13023421
2-[(1-benzylpyrrolidin-3-yl)-methylamino]-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone
CID 146127331
1-(4-benzylpiperazin-1-yl)-3-(4-methylpiperidin-1-yl)propane-1,3-dione
CID 108942723
1-(4-benzylpiperazin-1-yl)-2-(butan-2-ylamino)ethanone
CID 60684325
1-(4-benzylpiperazin-1-yl)-5-methylhexan-1-one
CID 143244837
methyl N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]carbamate
CID 112993880
1-(4-benzylpiperazin-1-yl)butan-1-one
CID 874457
N-benzyl-2-[cyclopentyl(propan-2-yl)amino]-N-ethylacetamide
CID 56570177

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperazin-1-yl)-2-[cyclopentyl(propan-2-yl)amino]ethanone?
The IUPAC name of 1-(4-benzylpiperazin-1-yl)-2-[cyclopentyl(propan-2-yl)amino]ethanone (CID 56570110) is 1-(4-benzylpiperazin-1-yl)-2-[cyclopentyl(propan-2-yl)amino]ethanone.
What is the SMILES notation for 1-(4-benzylpiperazin-1-yl)-2-[cyclopentyl(propan-2-yl)amino]ethanone?
The canonical SMILES for 1-(4-benzylpiperazin-1-yl)-2-[cyclopentyl(propan-2-yl)amino]ethanone is CC(C)N(CC(=O)N1CCN(Cc2ccccc2)CC1)C1CCCC1.
What is the InChIKey of 1-(4-benzylpiperazin-1-yl)-2-[cyclopentyl(propan-2-yl)amino]ethanone?
The InChIKey is USWSPALEIRENAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O/c1-18(2)24(20-10-6-7-11-20)17-21(25)23-14-12-22(13-15-23)16-19-8-4-3-5-9-19/h3-5,8-9,18,20H,6-7,10-17H2,1-2H3.
What are the key properties of 1-(4-benzylpiperazin-1-yl)-2-[cyclopentyl(propan-2-yl)amino]ethanone?
1-(4-benzylpiperazin-1-yl)-2-[cyclopentyl(propan-2-yl)amino]ethanone has a molecular weight of 343.51 g/mol, XLogP of 2.98, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperazin-1-yl)-2-[cyclopentyl(propan-2-yl)amino]ethanone is sourced from PubChem (CID 56570110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).