(3-aminocyclopentyl)-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone;dihydrochloride

C18H35Cl2N3O — CID 119867638

IUPAC(3-aminocyclopentyl)-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone;dihydrochloride
SMILESCC1CCCCN1CC1CCCN(C(=O)C2CCC(N)C2)C1.Cl.Cl
InChIInChI=1S/C18H33N3O.2ClH/c1-14-5-2-3-9-20(14)12-15-6-4-10-21(13-15)18(22)16-7-8-17(19)11-16;;/h14-17H,2-13,19H2,1H3;2*1H
InChIKeyKRSCYEQPGFAZJZ-UHFFFAOYSA-N
MW380.40 g/mol
LogP3.07
Rot. Bonds3

About (3-aminocyclopentyl)-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone;dihydrochloride

(3-aminocyclopentyl)-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone;dihydrochloride (PubChem CID 119867638) has the molecular formula C18H35Cl2N3O and a molecular weight of 380.40 g/mol. Its IUPAC name is (3-aminocyclopentyl)-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name(3-aminocyclopentyl)-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone;dihydrochloride
PubChem CID119867638
Molecular FormulaC18H35Cl2N3O
Molecular Weight380.40 g/mol
Exact Mass379.22
IUPAC Name(3-aminocyclopentyl)-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone;dihydrochloride
SMILESCC1CCCCN1CC1CCCN(C(=O)C2CCC(N)C2)C1.Cl.Cl
InChIInChI=1S/C18H33N3O.2ClH/c1-14-5-2-3-9-20(14)12-15-6-4-10-21(13-15)18(22)16-7-8-17(19)11-16;;/h14-17H,2-13,19H2,1H3;2*1H
InChIKeyKRSCYEQPGFAZJZ-UHFFFAOYSA-N
XLogP3.07
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3-aminocyclopentyl)-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone;dihydrochloride with MolForge

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Related Compounds

[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-pyrrolidin-3-ylmethanone;dihydrochloride
CID 119867686
[(3R)-3-[[(2R)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone
CID 125120891
(3-aminocyclopentyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 103810664
(3-aminocyclohexyl)-[3-(azepan-1-ylmethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119875727
(1-aminocyclopentyl)-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone
CID 119867647
(3-aminocyclopentyl)-(4-ethylazepan-1-yl)methanone;hydrochloride
CID 119794884
[(1S,3S)-3-aminocyclopentyl]-pyrrolidin-1-ylmethanone
CID 97030843
(3-aminocyclopentyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone;dihydrochloride
CID 119858264
4-amino-3-methoxy-1-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]butan-1-one
CID 120596115
(3-aminocyclopentyl)-(azetidin-1-yl)methanone
CID 130546940
(4-aminocyclohexyl)-(3-ethylpiperidin-1-yl)methanone
CID 60846917
3-[1-(3-aminocyclohexanecarbonyl)piperidin-3-yl]propanamide
CID 119758308

Frequently Asked Questions

What is the IUPAC name of (3-aminocyclopentyl)-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone;dihydrochloride?
The IUPAC name of (3-aminocyclopentyl)-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone;dihydrochloride (CID 119867638) is (3-aminocyclopentyl)-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone;dihydrochloride.
What is the SMILES notation for (3-aminocyclopentyl)-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone;dihydrochloride?
The canonical SMILES for (3-aminocyclopentyl)-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone;dihydrochloride is CC1CCCCN1CC1CCCN(C(=O)C2CCC(N)C2)C1.Cl.Cl.
What is the InChIKey of (3-aminocyclopentyl)-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone;dihydrochloride?
The InChIKey is KRSCYEQPGFAZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O.2ClH/c1-14-5-2-3-9-20(14)12-15-6-4-10-21(13-15)18(22)16-7-8-17(19)11-16;;/h14-17H,2-13,19H2,1H3;2*1H.
What are the key properties of (3-aminocyclopentyl)-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone;dihydrochloride?
(3-aminocyclopentyl)-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone;dihydrochloride has a molecular weight of 380.40 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclopentyl)-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone;dihydrochloride is sourced from PubChem (CID 119867638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).