(3-aminocyclopentyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone;dihydrochloride

C14H29Cl2N3O — CID 119831557

IUPAC(3-aminocyclopentyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone;dihydrochloride
SMILESCC(C)CN1CCN(C(=O)C2CCC(N)C2)CC1.Cl.Cl
InChIInChI=1S/C14H27N3O.2ClH/c1-11(2)10-16-5-7-17(8-6-16)14(18)12-3-4-13(15)9-12;;/h11-13H,3-10,15H2,1-2H3;2*1H
InChIKeyNYWRAPIIXCQEFC-UHFFFAOYSA-N
MW326.31 g/mol
LogP1.76
Rot. Bonds3

About (3-aminocyclopentyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone;dihydrochloride

(3-aminocyclopentyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone;dihydrochloride (PubChem CID 119831557) has the molecular formula C14H29Cl2N3O and a molecular weight of 326.31 g/mol. Its IUPAC name is (3-aminocyclopentyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name(3-aminocyclopentyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone;dihydrochloride
PubChem CID119831557
Molecular FormulaC14H29Cl2N3O
Molecular Weight326.31 g/mol
Exact Mass325.17
IUPAC Name(3-aminocyclopentyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone;dihydrochloride
SMILESCC(C)CN1CCN(C(=O)C2CCC(N)C2)CC1.Cl.Cl
InChIInChI=1S/C14H27N3O.2ClH/c1-11(2)10-16-5-7-17(8-6-16)14(18)12-3-4-13(15)9-12;;/h11-13H,3-10,15H2,1-2H3;2*1H
InChIKeyNYWRAPIIXCQEFC-UHFFFAOYSA-N
XLogP1.76
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(aminomethyl)cyclohexyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 62808544
cyclohexyl-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 113072857
[(1S,3S)-3-aminocyclopentyl]-pyrrolidin-1-ylmethanone
CID 97030843
(1-methylpiperidin-4-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 165146139
(4-aminocyclohexyl)-[4-(3-methylbutyl)piperazin-1-yl]methanone
CID 60964122
[4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119755471
2-[1-(3-aminocyclopentanecarbonyl)piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone;dihydrochloride
CID 119879435
[4-(2-methylpropyl)piperazin-1-yl]-(oxan-4-yl)methanone
CID 113072893
(3-aminocyclopentyl)-(azetidin-1-yl)methanone
CID 130546940
(3-aminocyclopentyl)-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone
CID 119781901
1-[4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone
CID 119876001
2-[4-(3-aminocyclopentanecarbonyl)-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone
CID 119844119

Frequently Asked Questions

What is the IUPAC name of (3-aminocyclopentyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone;dihydrochloride?
The IUPAC name of (3-aminocyclopentyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone;dihydrochloride (CID 119831557) is (3-aminocyclopentyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone;dihydrochloride.
What is the SMILES notation for (3-aminocyclopentyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone;dihydrochloride?
The canonical SMILES for (3-aminocyclopentyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone;dihydrochloride is CC(C)CN1CCN(C(=O)C2CCC(N)C2)CC1.Cl.Cl.
What is the InChIKey of (3-aminocyclopentyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone;dihydrochloride?
The InChIKey is NYWRAPIIXCQEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O.2ClH/c1-11(2)10-16-5-7-17(8-6-16)14(18)12-3-4-13(15)9-12;;/h11-13H,3-10,15H2,1-2H3;2*1H.
What are the key properties of (3-aminocyclopentyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone;dihydrochloride?
(3-aminocyclopentyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone;dihydrochloride has a molecular weight of 326.31 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclopentyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone;dihydrochloride is sourced from PubChem (CID 119831557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).