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

C17H33N3O — CID 107174637

IUPAC[4-(1-aminopentan-2-yl)piperazin-1-yl]-(2,2-dimethylcyclopentyl)methanone
SMILESCCCC(CN)N1CCN(C(=O)C2CCCC2(C)C)CC1
InChIInChI=1S/C17H33N3O/c1-4-6-14(13-18)19-9-11-20(12-10-19)16(21)15-7-5-8-17(15,2)3/h14-15H,4-13,18H2,1-3H3
InChIKeySILZTMVIKWHBKZ-UHFFFAOYSA-N
MW295.47 g/mol
LogP2.08
Rot. Bonds5

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

[4-(1-aminopentan-2-yl)piperazin-1-yl]-(2,2-dimethylcyclopentyl)methanone (PubChem CID 107174637) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is [4-(1-aminopentan-2-yl)piperazin-1-yl]-(2,2-dimethylcyclopentyl)methanone.

Molecular Properties

Compound Name[4-(1-aminopentan-2-yl)piperazin-1-yl]-(2,2-dimethylcyclopentyl)methanone
PubChem CID107174637
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name[4-(1-aminopentan-2-yl)piperazin-1-yl]-(2,2-dimethylcyclopentyl)methanone
SMILESCCCC(CN)N1CCN(C(=O)C2CCCC2(C)C)CC1
InChIInChI=1S/C17H33N3O/c1-4-6-14(13-18)19-9-11-20(12-10-19)16(21)15-7-5-8-17(15,2)3/h14-15H,4-13,18H2,1-3H3
InChIKeySILZTMVIKWHBKZ-UHFFFAOYSA-N
XLogP2.08
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(1-aminobutan-2-yl)piperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone
CID 107000181
[3-(aminomethyl)pyrrolidin-1-yl]-(2,2-dimethylcyclopentyl)methanone
CID 107180661
[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(2,2-dimethylcyclopentyl)methanone
CID 107174639
[4-(3-amino-2-methylpropyl)piperazin-1-yl]-(2,2-dimethylcyclohexyl)methanone
CID 107174530
(2,2-dimethylcyclopentyl)-(4-hydroxypiperidin-1-yl)methanone
CID 104917952
1-[4-(1-aminopentan-2-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 55219660
2-[1-(2,2-dimethylcyclohexanecarbonyl)piperidin-4-yl]acetic acid
CID 107175719
[4-(1-aminoethyl)piperidin-1-yl]-(2,2-dimethylcyclohexyl)methanone
CID 107180739
(4-bromopiperidin-1-yl)-(2,2-dimethylcyclopentyl)methanone
CID 107183919
[4-(chloromethyl)piperidin-1-yl]-(2,2-dimethylcyclohexyl)methanone
CID 107183885
[4-(bromomethyl)piperidin-1-yl]-(2,2-dimethylcyclohexyl)methanone
CID 107183985
1-[4-(1-aminopentan-2-yl)piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 63340947

Frequently Asked Questions

What is the IUPAC name of [4-(1-aminopentan-2-yl)piperazin-1-yl]-(2,2-dimethylcyclopentyl)methanone?
The IUPAC name of [4-(1-aminopentan-2-yl)piperazin-1-yl]-(2,2-dimethylcyclopentyl)methanone (CID 107174637) is [4-(1-aminopentan-2-yl)piperazin-1-yl]-(2,2-dimethylcyclopentyl)methanone.
What is the SMILES notation for [4-(1-aminopentan-2-yl)piperazin-1-yl]-(2,2-dimethylcyclopentyl)methanone?
The canonical SMILES for [4-(1-aminopentan-2-yl)piperazin-1-yl]-(2,2-dimethylcyclopentyl)methanone is CCCC(CN)N1CCN(C(=O)C2CCCC2(C)C)CC1.
What is the InChIKey of [4-(1-aminopentan-2-yl)piperazin-1-yl]-(2,2-dimethylcyclopentyl)methanone?
The InChIKey is SILZTMVIKWHBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-4-6-14(13-18)19-9-11-20(12-10-19)16(21)15-7-5-8-17(15,2)3/h14-15H,4-13,18H2,1-3H3.
What are the key properties of [4-(1-aminopentan-2-yl)piperazin-1-yl]-(2,2-dimethylcyclopentyl)methanone?
[4-(1-aminopentan-2-yl)piperazin-1-yl]-(2,2-dimethylcyclopentyl)methanone has a molecular weight of 295.47 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-aminopentan-2-yl)piperazin-1-yl]-(2,2-dimethylcyclopentyl)methanone is sourced from PubChem (CID 107174637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).