N-cyclopentyl-1'-[(6-methyl-2-pyridinyl)methyl]spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-carboxamide;dihydrochloride

C26H36Cl2N4O — CID 155861280

IUPACN-cyclopentyl-1'-[(6-methyl-2-pyridinyl)methyl]spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-carboxamide;dihydrochloride
SMILESCc1cccc(CN2CCC3(CC2)CN(C(=O)NC2CCCC2)Cc2ccccc23)n1.Cl.Cl
InChIInChI=1S/C26H34N4O.2ClH/c1-20-7-6-11-23(27-20)18-29-15-13-26(14-16-29)19-30(17-21-8-2-5-12-24(21)26)25(31)28-22-9-3-4-10-22;;/h2,5-8,11-12,22H,3-4,9-10,13-19H2,1H3,(H,28,31);2*1H
InChIKeyPMOQDHXZWXXJEV-UHFFFAOYSA-N
MW491.51 g/mol
LogP5.24
Rot. Bonds3

About N-cyclopentyl-1'-[(6-methyl-2-pyridinyl)methyl]spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-carboxamide;dihydrochloride

N-cyclopentyl-1'-[(6-methyl-2-pyridinyl)methyl]spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-carboxamide;dihydrochloride (PubChem CID 155861280) has the molecular formula C26H36Cl2N4O and a molecular weight of 491.51 g/mol. Its IUPAC name is N-cyclopentyl-1'-[(6-methyl-2-pyridinyl)methyl]spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-cyclopentyl-1'-[(6-methyl-2-pyridinyl)methyl]spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-carboxamide;dihydrochloride
PubChem CID155861280
Molecular FormulaC26H36Cl2N4O
Molecular Weight491.51 g/mol
Exact Mass490.23
IUPAC NameN-cyclopentyl-1'-[(6-methyl-2-pyridinyl)methyl]spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-carboxamide;dihydrochloride
SMILESCc1cccc(CN2CCC3(CC2)CN(C(=O)NC2CCCC2)Cc2ccccc23)n1.Cl.Cl
InChIInChI=1S/C26H34N4O.2ClH/c1-20-7-6-11-23(27-20)18-29-15-13-26(14-16-29)19-30(17-21-8-2-5-12-24(21)26)25(31)28-22-9-3-4-10-22;;/h2,5-8,11-12,22H,3-4,9-10,13-19H2,1H3,(H,28,31);2*1H
InChIKeyPMOQDHXZWXXJEV-UHFFFAOYSA-N
XLogP5.24
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.51
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]triazole-4-carboxamide
CID 118756520
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]propan-1-one
CID 74229715
N-cyclopentyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide
CID 38204358
1-[1'-[(2-methoxyphenyl)methyl]spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-yl]ethanone
CID 58089626
N-cyclopropyl-2-[1'-[(2-methyl-1,3-thiazol-4-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 133137739
N-cyclohexyl-5-methyl-1'-[(3-methylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23909492
1-[1'-(1-benzofuran-2-ylmethyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-yl]ethanone
CID 58089777
8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-1-one
CID 97449681
3-methyl-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-3-carboxylic acid
CID 79261129
N-cyclobutyl-2-[(1S)-1'-(6-methylpyridine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 97375907
(5R)-2-[(6-methyl-2-pyridinyl)methyl]-9-(pyridine-2-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
CID 97372107
N-cyclohexyl-4-(6-methylpyridine-2-carbonyl)-1,4-diazepane-1-carboxamide
CID 138378584

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1'-[(6-methyl-2-pyridinyl)methyl]spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-carboxamide;dihydrochloride?
The IUPAC name of N-cyclopentyl-1'-[(6-methyl-2-pyridinyl)methyl]spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-carboxamide;dihydrochloride (CID 155861280) is N-cyclopentyl-1'-[(6-methyl-2-pyridinyl)methyl]spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-cyclopentyl-1'-[(6-methyl-2-pyridinyl)methyl]spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-carboxamide;dihydrochloride?
The canonical SMILES for N-cyclopentyl-1'-[(6-methyl-2-pyridinyl)methyl]spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-carboxamide;dihydrochloride is Cc1cccc(CN2CCC3(CC2)CN(C(=O)NC2CCCC2)Cc2ccccc23)n1.Cl.Cl.
What is the InChIKey of N-cyclopentyl-1'-[(6-methyl-2-pyridinyl)methyl]spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-carboxamide;dihydrochloride?
The InChIKey is PMOQDHXZWXXJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O.2ClH/c1-20-7-6-11-23(27-20)18-29-15-13-26(14-16-29)19-30(17-21-8-2-5-12-24(21)26)25(31)28-22-9-3-4-10-22;;/h2,5-8,11-12,22H,3-4,9-10,13-19H2,1H3,(H,28,31);2*1H.
What are the key properties of N-cyclopentyl-1'-[(6-methyl-2-pyridinyl)methyl]spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-carboxamide;dihydrochloride?
N-cyclopentyl-1'-[(6-methyl-2-pyridinyl)methyl]spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-carboxamide;dihydrochloride has a molecular weight of 491.51 g/mol, XLogP of 5.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1'-[(6-methyl-2-pyridinyl)methyl]spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-carboxamide;dihydrochloride is sourced from PubChem (CID 155861280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).