(3-aminocyclopentyl)-(3,4,5-trimethylpiperazin-1-yl)methanone

C13H25N3O — CID 114536713

IUPAC(3-aminocyclopentyl)-(3,4,5-trimethylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)C2CCC(N)C2)CC(C)N1C
InChIInChI=1S/C13H25N3O/c1-9-7-16(8-10(2)15(9)3)13(17)11-4-5-12(14)6-11/h9-12H,4-8,14H2,1-3H3
InChIKeyWJAVKZPXOMPADH-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.66
Rot. Bonds1

About (3-aminocyclopentyl)-(3,4,5-trimethylpiperazin-1-yl)methanone

(3-aminocyclopentyl)-(3,4,5-trimethylpiperazin-1-yl)methanone (PubChem CID 114536713) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is (3-aminocyclopentyl)-(3,4,5-trimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-aminocyclopentyl)-(3,4,5-trimethylpiperazin-1-yl)methanone
PubChem CID114536713
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name(3-aminocyclopentyl)-(3,4,5-trimethylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)C2CCC(N)C2)CC(C)N1C
InChIInChI=1S/C13H25N3O/c1-9-7-16(8-10(2)15(9)3)13(17)11-4-5-12(14)6-11/h9-12H,4-8,14H2,1-3H3
InChIKeyWJAVKZPXOMPADH-UHFFFAOYSA-N
XLogP0.66
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropyl-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]methanone
CID 130678865
(3-aminocyclopentyl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 66032470
cis-(1S,3R)-3-(3,4,5-trimethylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 114093101
(3-aminocyclopentyl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 104958585
(3-aminocyclopentyl)-(3-hydroxyazetidin-1-yl)methanone
CID 107217532
(3-aminocyclopentyl)-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methanone
CID 119880090
(3-aminocyclopentyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
CID 81464820
[(1S,3S)-3-aminocyclopentyl]-pyrrolidin-1-ylmethanone
CID 97030843
(3-aminocyclopentyl)-(azetidin-1-yl)methanone
CID 130546940
1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindol-2-yl-(3-aminocyclopentyl)methanone;hydrochloride
CID 119803627
(3-aminocyclopentyl)-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone
CID 119781901
1-(3-aminocyclopentanecarbonyl)piperidine-4-carboxamide
CID 66030476

Frequently Asked Questions

What is the IUPAC name of (3-aminocyclopentyl)-(3,4,5-trimethylpiperazin-1-yl)methanone?
The IUPAC name of (3-aminocyclopentyl)-(3,4,5-trimethylpiperazin-1-yl)methanone (CID 114536713) is (3-aminocyclopentyl)-(3,4,5-trimethylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-aminocyclopentyl)-(3,4,5-trimethylpiperazin-1-yl)methanone?
The canonical SMILES for (3-aminocyclopentyl)-(3,4,5-trimethylpiperazin-1-yl)methanone is CC1CN(C(=O)C2CCC(N)C2)CC(C)N1C.
What is the InChIKey of (3-aminocyclopentyl)-(3,4,5-trimethylpiperazin-1-yl)methanone?
The InChIKey is WJAVKZPXOMPADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-9-7-16(8-10(2)15(9)3)13(17)11-4-5-12(14)6-11/h9-12H,4-8,14H2,1-3H3.
What are the key properties of (3-aminocyclopentyl)-(3,4,5-trimethylpiperazin-1-yl)methanone?
(3-aminocyclopentyl)-(3,4,5-trimethylpiperazin-1-yl)methanone has a molecular weight of 239.36 g/mol, XLogP of 0.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclopentyl)-(3,4,5-trimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 114536713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).