1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-N-[(1R)-1-pyridin-4-ylpropyl]piperidine-4-carboxamide

C26H37N5O — CID 25274740

IUPAC1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-N-[(1R)-1-pyridin-4-ylpropyl]piperidine-4-carboxamide
SMILESCC[C@@H](NC(=O)C1CCN(C2CCN(Cc3cccc(C)n3)CC2)CC1)c1ccncc1
InChIInChI=1S/C26H37N5O/c1-3-25(21-7-13-27-14-8-21)29-26(32)22-9-17-31(18-10-22)24-11-15-30(16-12-24)19-23-6-4-5-20(2)28-23/h4-8,13-14,22,24-25H,3,9-12,15-19H2,1-2H3,(H,29,32)/t25-/m1/s1
InChIKeyIHUPPXZGGBSHCN-RUZDIDTESA-N
MW435.62 g/mol
LogP3.73
Rot. Bonds7

About 1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-N-[(1R)-1-pyridin-4-ylpropyl]piperidine-4-carboxamide

1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-N-[(1R)-1-pyridin-4-ylpropyl]piperidine-4-carboxamide (PubChem CID 25274740) has the molecular formula C26H37N5O and a molecular weight of 435.62 g/mol. Its IUPAC name is 1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-N-[(1R)-1-pyridin-4-ylpropyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-N-[(1R)-1-pyridin-4-ylpropyl]piperidine-4-carboxamide
PubChem CID25274740
Molecular FormulaC26H37N5O
Molecular Weight435.62 g/mol
Exact Mass435.30
IUPAC Name1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-N-[(1R)-1-pyridin-4-ylpropyl]piperidine-4-carboxamide
SMILESCC[C@@H](NC(=O)C1CCN(C2CCN(Cc3cccc(C)n3)CC2)CC1)c1ccncc1
InChIInChI=1S/C26H37N5O/c1-3-25(21-7-13-27-14-8-21)29-26(32)22-9-17-31(18-10-22)24-11-15-30(16-12-24)19-23-6-4-5-20(2)28-23/h4-8,13-14,22,24-25H,3,9-12,15-19H2,1-2H3,(H,29,32)/t25-/m1/s1
InChIKeyIHUPPXZGGBSHCN-RUZDIDTESA-N
XLogP3.73
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.62
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-N-[(1R)-1-pyridin-4-ylpropyl]piperidine-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-methyl-1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide
CID 29153099
methyl 2-[methyl-[1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]piperidine-4-carbonyl]amino]acetate
CID 42567842
1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-N-[2-(2-oxopiperidin-1-yl)ethyl]piperidine-4-carboxamide
CID 42287597
[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-[1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]piperidin-4-yl]methanone
CID 45228254
1-[(4-methylphenyl)methyl]-N-[(1R)-1-(4-methylphenyl)propyl]piperidine-4-carboxamide
CID 94024761
1-[(3-methylphenyl)methyl]-N-[(1R)-1-(4-methylphenyl)propyl]piperidine-4-carboxamide
CID 94024759
2-methyl-6-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine
CID 74234895
1-methyl-N-(1-phenylpropyl)piperidine-4-carboxamide
CID 50875269
N-[1-(4-methoxyphenyl)propyl]-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 43926885
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-phenylpropyl)piperidine-4-carboxamide
CID 43927942
N-[[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]methyl]ethanamine
CID 79266938
1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-phenylpropyl)piperidine-4-carboxamide
CID 43927484

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-N-[(1R)-1-pyridin-4-ylpropyl]piperidine-4-carboxamide?
The IUPAC name of 1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-N-[(1R)-1-pyridin-4-ylpropyl]piperidine-4-carboxamide (CID 25274740) is 1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-N-[(1R)-1-pyridin-4-ylpropyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-N-[(1R)-1-pyridin-4-ylpropyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-N-[(1R)-1-pyridin-4-ylpropyl]piperidine-4-carboxamide is CC[C@@H](NC(=O)C1CCN(C2CCN(Cc3cccc(C)n3)CC2)CC1)c1ccncc1.
What is the InChIKey of 1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-N-[(1R)-1-pyridin-4-ylpropyl]piperidine-4-carboxamide?
The InChIKey is IHUPPXZGGBSHCN-RUZDIDTESA-N. The full InChI is InChI=1S/C26H37N5O/c1-3-25(21-7-13-27-14-8-21)29-26(32)22-9-17-31(18-10-22)24-11-15-30(16-12-24)19-23-6-4-5-20(2)28-23/h4-8,13-14,22,24-25H,3,9-12,15-19H2,1-2H3,(H,29,32)/t25-/m1/s1.
What are the key properties of 1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-N-[(1R)-1-pyridin-4-ylpropyl]piperidine-4-carboxamide?
1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-N-[(1R)-1-pyridin-4-ylpropyl]piperidine-4-carboxamide has a molecular weight of 435.62 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-N-[(1R)-1-pyridin-4-ylpropyl]piperidine-4-carboxamide is sourced from PubChem (CID 25274740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).