1-[(2S,4S)-2-methylpiperidine-4-carbonyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride

C19H30Cl2N4O2 — CID 120643620

IUPAC1-[(2S,4S)-2-methylpiperidine-4-carbonyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride
SMILESCc1cccc(NC(=O)C2CCCN(C(=O)[C@H]3CCN[C@@H](C)C3)C2)n1.Cl.Cl
InChIInChI=1S/C19H28N4O2.2ClH/c1-13-5-3-7-17(21-13)22-18(24)16-6-4-10-23(12-16)19(25)15-8-9-20-14(2)11-15;;/h3,5,7,14-16,20H,4,6,8-12H2,1-2H3,(H,21,22,24);2*1H/t14-,15-,16?;;/m0../s1
InChIKeyJRGFDELDVVEWKE-DYAQPFMGSA-N
MW417.38 g/mol
LogP2.80
Rot. Bonds3

About 1-[(2S,4S)-2-methylpiperidine-4-carbonyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride

1-[(2S,4S)-2-methylpiperidine-4-carbonyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride (PubChem CID 120643620) has the molecular formula C19H30Cl2N4O2 and a molecular weight of 417.38 g/mol. Its IUPAC name is 1-[(2S,4S)-2-methylpiperidine-4-carbonyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-[(2S,4S)-2-methylpiperidine-4-carbonyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride
PubChem CID120643620
Molecular FormulaC19H30Cl2N4O2
Molecular Weight417.38 g/mol
Exact Mass416.17
IUPAC Name1-[(2S,4S)-2-methylpiperidine-4-carbonyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride
SMILESCc1cccc(NC(=O)C2CCCN(C(=O)[C@H]3CCN[C@@H](C)C3)C2)n1.Cl.Cl
InChIInChI=1S/C19H28N4O2.2ClH/c1-13-5-3-7-17(21-13)22-18(24)16-6-4-10-23(12-16)19(25)15-8-9-20-14(2)11-15;;/h3,5,7,14-16,20H,4,6,8-12H2,1-2H3,(H,21,22,24);2*1H/t14-,15-,16?;;/m0../s1
InChIKeyJRGFDELDVVEWKE-DYAQPFMGSA-N
XLogP2.80
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.38
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(2S,4S)-2-methylpiperidine-4-carbonyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride with MolForge

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Related Compounds

N-(6-methyl-2-pyridinyl)-1-(piperidine-4-carbonyl)piperidine-3-carboxamide
CID 119855048
1-(4-hydroxypyrrolidine-2-carbonyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride
CID 119855073
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-(2-chlorobenzoyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55813036
(3R)-1-(3-methyl-1,2-oxazole-5-carbonyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 94638745
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-(2-tert-butyl-1,3-thiazole-5-carbonyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 47892218
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
N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 22690147

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4S)-2-methylpiperidine-4-carbonyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride?
The IUPAC name of 1-[(2S,4S)-2-methylpiperidine-4-carbonyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride (CID 120643620) is 1-[(2S,4S)-2-methylpiperidine-4-carbonyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for 1-[(2S,4S)-2-methylpiperidine-4-carbonyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride?
The canonical SMILES for 1-[(2S,4S)-2-methylpiperidine-4-carbonyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride is Cc1cccc(NC(=O)C2CCCN(C(=O)[C@H]3CCN[C@@H](C)C3)C2)n1.Cl.Cl.
What is the InChIKey of 1-[(2S,4S)-2-methylpiperidine-4-carbonyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride?
The InChIKey is JRGFDELDVVEWKE-DYAQPFMGSA-N. The full InChI is InChI=1S/C19H28N4O2.2ClH/c1-13-5-3-7-17(21-13)22-18(24)16-6-4-10-23(12-16)19(25)15-8-9-20-14(2)11-15;;/h3,5,7,14-16,20H,4,6,8-12H2,1-2H3,(H,21,22,24);2*1H/t14-,15-,16?;;/m0../s1.
What are the key properties of 1-[(2S,4S)-2-methylpiperidine-4-carbonyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride?
1-[(2S,4S)-2-methylpiperidine-4-carbonyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride has a molecular weight of 417.38 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4S)-2-methylpiperidine-4-carbonyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 120643620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).