[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(2,2-dimethylcyclopentyl)methanone

C16H31N3O — CID 107174639

IUPAC[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(2,2-dimethylcyclopentyl)methanone
SMILESCC1(C)CCCC1C(=O)N1CCN(C(C)(C)CN)CC1
InChIInChI=1S/C16H31N3O/c1-15(2)7-5-6-13(15)14(20)18-8-10-19(11-9-18)16(3,4)12-17/h13H,5-12,17H2,1-4H3
InChIKeyKKGSLWQNKNUYHV-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.69
Rot. Bonds3

About [4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(2,2-dimethylcyclopentyl)methanone

[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(2,2-dimethylcyclopentyl)methanone (PubChem CID 107174639) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is [4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(2,2-dimethylcyclopentyl)methanone.

Molecular Properties

Compound Name[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(2,2-dimethylcyclopentyl)methanone
PubChem CID107174639
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(2,2-dimethylcyclopentyl)methanone
SMILESCC1(C)CCCC1C(=O)N1CCN(C(C)(C)CN)CC1
InChIInChI=1S/C16H31N3O/c1-15(2)7-5-6-13(15)14(20)18-8-10-19(11-9-18)16(3,4)12-17/h13H,5-12,17H2,1-4H3
InChIKeyKKGSLWQNKNUYHV-UHFFFAOYSA-N
XLogP1.69
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,2-dimethylcyclopentyl)-(4-hydroxypiperidin-1-yl)methanone
CID 104917952
[3-(aminomethyl)pyrrolidin-1-yl]-(2,2-dimethylcyclopentyl)methanone
CID 107180661
(4-bromopiperidin-1-yl)-(2,2-dimethylcyclopentyl)methanone
CID 107183919
[4-(1-aminopentan-2-yl)piperazin-1-yl]-(2,2-dimethylcyclopentyl)methanone
CID 107174637
2-[4-(2,2-dimethylcyclopentanecarbonyl)-1,4-diazepan-1-yl]acetic acid
CID 107175413
[4-(3-amino-2-methylpropyl)piperazin-1-yl]-(2,2-dimethylcyclohexyl)methanone
CID 107174530
[4-(2-chloroethyl)-1,4-diazepan-1-yl]-(2,2-dimethylcyclopentyl)methanone
CID 107183870
[4-(chloromethyl)piperidin-1-yl]-(2,2-dimethylcyclohexyl)methanone
CID 107183885
(2,2-dimethylcyclopentyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 104919981
[4-(bromomethyl)piperidin-1-yl]-(2,2-dimethylcyclohexyl)methanone
CID 107183985
2-[1-(2,2-dimethylcyclohexanecarbonyl)piperidin-4-yl]acetic acid
CID 107175719
[4-(1-aminoethyl)piperidin-1-yl]-(2,2-dimethylcyclohexyl)methanone
CID 107180739

Frequently Asked Questions

What is the IUPAC name of [4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(2,2-dimethylcyclopentyl)methanone?
The IUPAC name of [4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(2,2-dimethylcyclopentyl)methanone (CID 107174639) is [4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(2,2-dimethylcyclopentyl)methanone.
What is the SMILES notation for [4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(2,2-dimethylcyclopentyl)methanone?
The canonical SMILES for [4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(2,2-dimethylcyclopentyl)methanone is CC1(C)CCCC1C(=O)N1CCN(C(C)(C)CN)CC1.
What is the InChIKey of [4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(2,2-dimethylcyclopentyl)methanone?
The InChIKey is KKGSLWQNKNUYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-15(2)7-5-6-13(15)14(20)18-8-10-19(11-9-18)16(3,4)12-17/h13H,5-12,17H2,1-4H3.
What are the key properties of [4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(2,2-dimethylcyclopentyl)methanone?
[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(2,2-dimethylcyclopentyl)methanone has a molecular weight of 281.44 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(2,2-dimethylcyclopentyl)methanone is sourced from PubChem (CID 107174639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).