(4-cyclopentylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone;dihydrochloride

C15H29Cl2N3O — CID 119843049

IUPAC(4-cyclopentylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone;dihydrochloride
SMILESCC1(C(=O)N2CCN(C3CCCC3)CC2)CCNC1.Cl.Cl
InChIInChI=1S/C15H27N3O.2ClH/c1-15(6-7-16-12-15)14(19)18-10-8-17(9-11-18)13-4-2-3-5-13;;/h13,16H,2-12H2,1H3;2*1H
InChIKeyIKUJXZJDSNGNQG-UHFFFAOYSA-N
MW338.32 g/mol
LogP1.92
Rot. Bonds2

About (4-cyclopentylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone;dihydrochloride

(4-cyclopentylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone;dihydrochloride (PubChem CID 119843049) has the molecular formula C15H29Cl2N3O and a molecular weight of 338.32 g/mol. Its IUPAC name is (4-cyclopentylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name(4-cyclopentylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone;dihydrochloride
PubChem CID119843049
Molecular FormulaC15H29Cl2N3O
Molecular Weight338.32 g/mol
Exact Mass337.17
IUPAC Name(4-cyclopentylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone;dihydrochloride
SMILESCC1(C(=O)N2CCN(C3CCCC3)CC2)CCNC1.Cl.Cl
InChIInChI=1S/C15H27N3O.2ClH/c1-15(6-7-16-12-15)14(19)18-10-8-17(9-11-18)13-4-2-3-5-13;;/h13,16H,2-12H2,1H3;2*1H
InChIKeyIKUJXZJDSNGNQG-UHFFFAOYSA-N
XLogP1.92
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.32
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-cyclopentylpiperazin-1-yl)-(3-methylpiperidin-3-yl)methanone
CID 63133084
(4-cyclopropylpiperazin-1-yl)-(3-methylpiperidin-3-yl)methanone
CID 63131559
(3-methylpyrrolidin-3-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone;dihydrochloride
CID 119858272
azepan-1-yl-(3-methylpyrrolidin-3-yl)methanone;hydrochloride
CID 119669541
azetidin-1-yl-(3-methylpyrrolidin-3-yl)methanone
CID 130547014
1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl-(3-methylpyrrolidin-3-yl)methanone;hydrochloride
CID 119788100
(4-cyclopentylpiperazin-1-yl)-(3-ethylpiperidin-3-yl)methanone
CID 63133034
1-(3-methylpyrrolidine-3-carbonyl)piperidine-4-carboxylic acid
CID 63141724
(1-aminocyclopentyl)-(4-cyclopentylpiperazin-1-yl)methanone;dihydrochloride
CID 119843053
(4-ethylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone
CID 63138776
(3-hydroxypiperidin-1-yl)-(3-methylpyrrolidin-3-yl)methanone
CID 63138941
(3-methylpiperidin-3-yl)-(4-methylpiperidin-1-yl)methanone
CID 63132368

Frequently Asked Questions

What is the IUPAC name of (4-cyclopentylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone;dihydrochloride?
The IUPAC name of (4-cyclopentylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone;dihydrochloride (CID 119843049) is (4-cyclopentylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone;dihydrochloride.
What is the SMILES notation for (4-cyclopentylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone;dihydrochloride?
The canonical SMILES for (4-cyclopentylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone;dihydrochloride is CC1(C(=O)N2CCN(C3CCCC3)CC2)CCNC1.Cl.Cl.
What is the InChIKey of (4-cyclopentylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone;dihydrochloride?
The InChIKey is IKUJXZJDSNGNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O.2ClH/c1-15(6-7-16-12-15)14(19)18-10-8-17(9-11-18)13-4-2-3-5-13;;/h13,16H,2-12H2,1H3;2*1H.
What are the key properties of (4-cyclopentylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone;dihydrochloride?
(4-cyclopentylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone;dihydrochloride has a molecular weight of 338.32 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopentylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone;dihydrochloride is sourced from PubChem (CID 119843049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).