(3S)-1-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide

C23H32N6O — CID 96575243

IUPAC(3S)-1-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
SMILESCc1cnc(C)c(N2CCC(N3CCC[C@H](C(=O)NCc4ccccn4)C3)CC2)n1
InChIInChI=1S/C23H32N6O/c1-17-14-25-18(2)22(27-17)28-12-8-21(9-13-28)29-11-5-6-19(16-29)23(30)26-15-20-7-3-4-10-24-20/h3-4,7,10,14,19,21H,5-6,8-9,11-13,15-16H2,1-2H3,(H,26,30)/t19-/m0/s1
InChIKeyLOEWUMSHXAXEEI-IBGZPJMESA-N
MW408.55 g/mol
LogP2.49
Rot. Bonds5

About (3S)-1-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide

(3S)-1-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 96575243) has the molecular formula C23H32N6O and a molecular weight of 408.55 g/mol. Its IUPAC name is (3S)-1-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
PubChem CID96575243
Molecular FormulaC23H32N6O
Molecular Weight408.55 g/mol
Exact Mass408.26
IUPAC Name(3S)-1-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
SMILESCc1cnc(C)c(N2CCC(N3CCC[C@H](C(=O)NCc4ccccn4)C3)CC2)n1
InChIInChI=1S/C23H32N6O/c1-17-14-25-18(2)22(27-17)28-12-8-21(9-13-28)29-11-5-6-19(16-29)23(30)26-15-20-7-3-4-10-24-20/h3-4,7,10,14,19,21H,5-6,8-9,11-13,15-16H2,1-2H3,(H,26,30)/t19-/m0/s1
InChIKeyLOEWUMSHXAXEEI-IBGZPJMESA-N
XLogP2.49
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3S)-1-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide with MolForge

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Related Compounds

(3R)-1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 96580711
(3S)-1-(1-pyrazin-2-ylpiperidin-4-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 95555076
(3S)-1-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 95549665
(3S)-1-[1-[4-(methylamino)pyrimidin-2-yl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 96582322
1-[1-(2-aminopyrimidin-4-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 56872617
1-[1-(2-methylpropanoyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 56869421
(3R)-1-[1-(2,2-difluoroethyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 95556400
(3S)-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 96571119
(3R)-1-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 96580415
(3S)-1-[1-(pyridine-2-carbonyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 96579721
(3R)-1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 96577754
(3R)-1-[1-(3-aminopropanoyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 95563492

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide (CID 96575243) is (3S)-1-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide is Cc1cnc(C)c(N2CCC(N3CCC[C@H](C(=O)NCc4ccccn4)C3)CC2)n1.
What is the InChIKey of (3S)-1-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is LOEWUMSHXAXEEI-IBGZPJMESA-N. The full InChI is InChI=1S/C23H32N6O/c1-17-14-25-18(2)22(27-17)28-12-8-21(9-13-28)29-11-5-6-19(16-29)23(30)26-15-20-7-3-4-10-24-20/h3-4,7,10,14,19,21H,5-6,8-9,11-13,15-16H2,1-2H3,(H,26,30)/t19-/m0/s1.
What are the key properties of (3S)-1-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
(3S)-1-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 408.55 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 96575243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).