(1-aminocyclopentyl)-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride

C16H25Cl2N3O — CID 171325435

IUPAC(1-aminocyclopentyl)-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride
SMILESCl.Cl.NC1(C(=O)N2CCC(Cc3ccccn3)C2)CCCC1
InChIInChI=1S/C16H23N3O.2ClH/c17-16(7-2-3-8-16)15(20)19-10-6-13(12-19)11-14-5-1-4-9-18-14;;/h1,4-5,9,13H,2-3,6-8,10-12,17H2;2*1H
InChIKeyGGBXVSZCIZAKQP-UHFFFAOYSA-N
MW346.30 g/mol
LogP2.59
Rot. Bonds3

About (1-aminocyclopentyl)-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride

(1-aminocyclopentyl)-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride (PubChem CID 171325435) has the molecular formula C16H25Cl2N3O and a molecular weight of 346.30 g/mol. Its IUPAC name is (1-aminocyclopentyl)-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name(1-aminocyclopentyl)-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride
PubChem CID171325435
Molecular FormulaC16H25Cl2N3O
Molecular Weight346.30 g/mol
Exact Mass345.14
IUPAC Name(1-aminocyclopentyl)-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride
SMILESCl.Cl.NC1(C(=O)N2CCC(Cc3ccccn3)C2)CCCC1
InChIInChI=1S/C16H23N3O.2ClH/c17-16(7-2-3-8-16)15(20)19-10-6-13(12-19)11-14-5-1-4-9-18-14;;/h1,4-5,9,13H,2-3,6-8,10-12,17H2;2*1H
InChIKeyGGBXVSZCIZAKQP-UHFFFAOYSA-N
XLogP2.59
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.30
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-1-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 95841867
1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 110254207
[4-[(2-fluorophenyl)methyl]oxan-4-yl]-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
CID 124986057
(1-aminocyclobutyl)-[3-[(3,5-difluorophenyl)methyl]pyrrolidin-1-yl]methanone;hydrochloride
CID 171712189
3-phenyl-1-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]propan-1-one
CID 124971365
2-[4-[[1-(1-aminocyclopentanecarbonyl)pyrrolidin-3-yl]methyl]phenyl]-1-morpholin-4-ylethanone;hydrochloride
CID 171712317
[(2R,4S)-4-phenylpyrrolidin-2-yl]-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 167516113
(1-aminocyclopentyl)-[4-(phenoxymethyl)piperidin-1-yl]methanone
CID 119304906
3-methoxy-1-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]propan-1-one
CID 95845204
3-methoxy-1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]propan-1-one
CID 110270825
2-(4-methoxyphenoxy)-1-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 125014143
2-(4-fluorophenoxy)-1-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 124995942

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopentyl)-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride?
The IUPAC name of (1-aminocyclopentyl)-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride (CID 171325435) is (1-aminocyclopentyl)-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride.
What is the SMILES notation for (1-aminocyclopentyl)-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride?
The canonical SMILES for (1-aminocyclopentyl)-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride is Cl.Cl.NC1(C(=O)N2CCC(Cc3ccccn3)C2)CCCC1.
What is the InChIKey of (1-aminocyclopentyl)-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride?
The InChIKey is GGBXVSZCIZAKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O.2ClH/c17-16(7-2-3-8-16)15(20)19-10-6-13(12-19)11-14-5-1-4-9-18-14;;/h1,4-5,9,13H,2-3,6-8,10-12,17H2;2*1H.
What are the key properties of (1-aminocyclopentyl)-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride?
(1-aminocyclopentyl)-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride has a molecular weight of 346.30 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclopentyl)-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride is sourced from PubChem (CID 171325435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).