1-(4-hydroxypyrrolidine-2-carbonyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride

C17H26Cl2N4O3 — CID 119855073

IUPAC1-(4-hydroxypyrrolidine-2-carbonyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride
SMILESCc1cccc(NC(=O)C2CCCN(C(=O)C3CC(O)CN3)C2)n1.Cl.Cl
InChIInChI=1S/C17H24N4O3.2ClH/c1-11-4-2-6-15(19-11)20-16(23)12-5-3-7-21(10-12)17(24)14-8-13(22)9-18-14;;/h2,4,6,12-14,18,22H,3,5,7-10H2,1H3,(H,19,20,23);2*1H
InChIKeyIOGRWGCAYSUZIP-UHFFFAOYSA-N
MW405.33 g/mol
LogP1.13
Rot. Bonds3

About 1-(4-hydroxypyrrolidine-2-carbonyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride

1-(4-hydroxypyrrolidine-2-carbonyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride (PubChem CID 119855073) has the molecular formula C17H26Cl2N4O3 and a molecular weight of 405.33 g/mol. Its IUPAC name is 1-(4-hydroxypyrrolidine-2-carbonyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-(4-hydroxypyrrolidine-2-carbonyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride
PubChem CID119855073
Molecular FormulaC17H26Cl2N4O3
Molecular Weight405.33 g/mol
Exact Mass404.14
IUPAC Name1-(4-hydroxypyrrolidine-2-carbonyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride
SMILESCc1cccc(NC(=O)C2CCCN(C(=O)C3CC(O)CN3)C2)n1.Cl.Cl
InChIInChI=1S/C17H24N4O3.2ClH/c1-11-4-2-6-15(19-11)20-16(23)12-5-3-7-21(10-12)17(24)14-8-13(22)9-18-14;;/h2,4,6,12-14,18,22H,3,5,7-10H2,1H3,(H,19,20,23);2*1H
InChIKeyIOGRWGCAYSUZIP-UHFFFAOYSA-N
XLogP1.13
TPSA94.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.33
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2S,4S)-2-methylpiperidine-4-carbonyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride
CID 120643620
N-(6-methyl-2-pyridinyl)-1-(piperidine-4-carbonyl)piperidine-3-carboxamide
CID 119855048
1-(2-chlorobenzoyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55813036
tert-butyl 3-[(6-methyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate
CID 18107272
1-(3-amino-2-methylbutanoyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride
CID 120503103
1-(4-chlorobenzoyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 51188759
1-[4-(aminomethyl)benzoyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride
CID 119855077
1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 120798482
(3R)-N-(6-methyl-2-pyridinyl)-1-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperidine-3-carboxamide
CID 95141951
(3R)-1-(3-methyl-1,2-oxazole-5-carbonyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 94638745
N-(6-methyl-2-pyridinyl)-1-(2-nitrobenzoyl)piperidine-3-carboxamide
CID 55815492
1-[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55815469

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxypyrrolidine-2-carbonyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride?
The IUPAC name of 1-(4-hydroxypyrrolidine-2-carbonyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride (CID 119855073) is 1-(4-hydroxypyrrolidine-2-carbonyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for 1-(4-hydroxypyrrolidine-2-carbonyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride?
The canonical SMILES for 1-(4-hydroxypyrrolidine-2-carbonyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride is Cc1cccc(NC(=O)C2CCCN(C(=O)C3CC(O)CN3)C2)n1.Cl.Cl.
What is the InChIKey of 1-(4-hydroxypyrrolidine-2-carbonyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride?
The InChIKey is IOGRWGCAYSUZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3.2ClH/c1-11-4-2-6-15(19-11)20-16(23)12-5-3-7-21(10-12)17(24)14-8-13(22)9-18-14;;/h2,4,6,12-14,18,22H,3,5,7-10H2,1H3,(H,19,20,23);2*1H.
What are the key properties of 1-(4-hydroxypyrrolidine-2-carbonyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride?
1-(4-hydroxypyrrolidine-2-carbonyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride has a molecular weight of 405.33 g/mol, XLogP of 1.13, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxypyrrolidine-2-carbonyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119855073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).