2-[(3,3-dimethylcyclopentyl)amino]-1-(4-methylpiperazin-1-yl)ethanone

C14H27N3O — CID 104531066

IUPAC2-[(3,3-dimethylcyclopentyl)amino]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)CNC2CCC(C)(C)C2)CC1
InChIInChI=1S/C14H27N3O/c1-14(2)5-4-12(10-14)15-11-13(18)17-8-6-16(3)7-9-17/h12,15H,4-11H2,1-3H3
InChIKeySRRPWEHGACQQLT-UHFFFAOYSA-N
MW253.39 g/mol
LogP0.93
Rot. Bonds3

About 2-[(3,3-dimethylcyclopentyl)amino]-1-(4-methylpiperazin-1-yl)ethanone

2-[(3,3-dimethylcyclopentyl)amino]-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 104531066) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-[(3,3-dimethylcyclopentyl)amino]-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[(3,3-dimethylcyclopentyl)amino]-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID104531066
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name2-[(3,3-dimethylcyclopentyl)amino]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)CNC2CCC(C)(C)C2)CC1
InChIInChI=1S/C14H27N3O/c1-14(2)5-4-12(10-14)15-11-13(18)17-8-6-16(3)7-9-17/h12,15H,4-11H2,1-3H3
InChIKeySRRPWEHGACQQLT-UHFFFAOYSA-N
XLogP0.93
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclopentan-1-amine
CID 80706409
3,3-dimethyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]cyclopentan-1-amine
CID 80692267
1-(4-methylpiperazin-1-yl)-2-[(1-propylpiperidin-4-yl)amino]ethanone
CID 60695559
2-[(3,3-dimethylcyclopentyl)amino]-N-propan-2-ylacetamide
CID 80692862
N-[2-[(3,3-dimethylcyclopentyl)amino]ethyl]-2-methylpropanamide
CID 80693383
2-(cyclopentylamino)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone
CID 22321698
2-[(1-methylpyrrolidin-3-yl)amino]-1-pyrrolidin-1-ylethanone
CID 61462383
2-[(3,3-dimethylcyclopentyl)amino]-N-(oxan-4-yl)acetamide
CID 114546014
N-butyl-2-[(3,3-dimethylcyclopentyl)amino]acetamide
CID 114545867
2-(cyclopentylamino)-1-(4,4-diethylpiperidin-1-yl)ethanone
CID 63163229
2-[(3,3-dimethylcyclopentyl)amino]-1-piperidin-1-ylpropan-1-one
CID 80705947
1-(azepan-1-yl)-2-[(3,3-dimethylcyclopentyl)amino]propan-1-one
CID 115880311

Frequently Asked Questions

What is the IUPAC name of 2-[(3,3-dimethylcyclopentyl)amino]-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[(3,3-dimethylcyclopentyl)amino]-1-(4-methylpiperazin-1-yl)ethanone (CID 104531066) is 2-[(3,3-dimethylcyclopentyl)amino]-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[(3,3-dimethylcyclopentyl)amino]-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[(3,3-dimethylcyclopentyl)amino]-1-(4-methylpiperazin-1-yl)ethanone is CN1CCN(C(=O)CNC2CCC(C)(C)C2)CC1.
What is the InChIKey of 2-[(3,3-dimethylcyclopentyl)amino]-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is SRRPWEHGACQQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-14(2)5-4-12(10-14)15-11-13(18)17-8-6-16(3)7-9-17/h12,15H,4-11H2,1-3H3.
What are the key properties of 2-[(3,3-dimethylcyclopentyl)amino]-1-(4-methylpiperazin-1-yl)ethanone?
2-[(3,3-dimethylcyclopentyl)amino]-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 253.39 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,3-dimethylcyclopentyl)amino]-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 104531066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).