(1-aminocyclopentyl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone;dihydrochloride

C15H26Cl2N4O — CID 119880907

IUPAC(1-aminocyclopentyl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone;dihydrochloride
SMILESCl.Cl.NC1(C(=O)N2CCC(Cn3cccn3)CC2)CCCC1
InChIInChI=1S/C15H24N4O.2ClH/c16-15(6-1-2-7-15)14(20)18-10-4-13(5-11-18)12-19-9-3-8-17-19;;/h3,8-9,13H,1-2,4-7,10-12,16H2;2*1H
InChIKeyYMODUKUHMYREHU-UHFFFAOYSA-N
MW349.31 g/mol
LogP2.24
Rot. Bonds3

About (1-aminocyclopentyl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone;dihydrochloride

(1-aminocyclopentyl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone;dihydrochloride (PubChem CID 119880907) has the molecular formula C15H26Cl2N4O and a molecular weight of 349.31 g/mol. Its IUPAC name is (1-aminocyclopentyl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name(1-aminocyclopentyl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone;dihydrochloride
PubChem CID119880907
Molecular FormulaC15H26Cl2N4O
Molecular Weight349.31 g/mol
Exact Mass348.15
IUPAC Name(1-aminocyclopentyl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone;dihydrochloride
SMILESCl.Cl.NC1(C(=O)N2CCC(Cn3cccn3)CC2)CCCC1
InChIInChI=1S/C15H24N4O.2ClH/c16-15(6-1-2-7-15)14(20)18-10-4-13(5-11-18)12-19-9-3-8-17-19;;/h3,8-9,13H,1-2,4-7,10-12,16H2;2*1H
InChIKeyYMODUKUHMYREHU-UHFFFAOYSA-N
XLogP2.24
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 52906688
cyclobutyl-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 90495103
ethyl 4-oxo-4-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]butanoate
CID 52906692
1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]pentan-1-one
CID 90494857
(1-aminocyclohexyl)-(4-ethylazepan-1-yl)methanone;hydrochloride
CID 119329946
(2-aminophenyl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119947130
ethyl 2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]acetate
CID 90495334
[4-(pyrazol-1-ylmethyl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 119880920
(1-aminocyclohexyl)-(4-imidazol-1-ylpiperidin-1-yl)methanone;dihydrochloride
CID 119868735
(1-aminocyclopentyl)-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 171325435
(1-aminocyclopentyl)-(4-phenylpiperidin-1-yl)methanone;hydrochloride
CID 119278406
(1-aminocyclopentyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 54916657

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopentyl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone;dihydrochloride?
The IUPAC name of (1-aminocyclopentyl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone;dihydrochloride (CID 119880907) is (1-aminocyclopentyl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone;dihydrochloride.
What is the SMILES notation for (1-aminocyclopentyl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone;dihydrochloride?
The canonical SMILES for (1-aminocyclopentyl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone;dihydrochloride is Cl.Cl.NC1(C(=O)N2CCC(Cn3cccn3)CC2)CCCC1.
What is the InChIKey of (1-aminocyclopentyl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone;dihydrochloride?
The InChIKey is YMODUKUHMYREHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O.2ClH/c16-15(6-1-2-7-15)14(20)18-10-4-13(5-11-18)12-19-9-3-8-17-19;;/h3,8-9,13H,1-2,4-7,10-12,16H2;2*1H.
What are the key properties of (1-aminocyclopentyl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone;dihydrochloride?
(1-aminocyclopentyl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone;dihydrochloride has a molecular weight of 349.31 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclopentyl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone;dihydrochloride is sourced from PubChem (CID 119880907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).