N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide

C24H36N6O — CID 112835991

IUPACN-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
SMILESCC1CC(C)CN(Cc2ccc(CNC(=O)N3CCC(c4nncn4C)CC3)cc2)C1
InChIInChI=1S/C24H36N6O/c1-18-12-19(2)15-29(14-18)16-21-6-4-20(5-7-21)13-25-24(31)30-10-8-22(9-11-30)23-27-26-17-28(23)3/h4-7,17-19,22H,8-16H2,1-3H3,(H,25,31)
InChIKeyPDRXYNGRKBHJBG-UHFFFAOYSA-N
MW424.59 g/mol
LogP3.38
Rot. Bonds5

About N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide

N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide (PubChem CID 112835991) has the molecular formula C24H36N6O and a molecular weight of 424.59 g/mol. Its IUPAC name is N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
PubChem CID112835991
Molecular FormulaC24H36N6O
Molecular Weight424.59 g/mol
Exact Mass424.30
IUPAC NameN-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
SMILESCC1CC(C)CN(Cc2ccc(CNC(=O)N3CCC(c4nncn4C)CC3)cc2)C1
InChIInChI=1S/C24H36N6O/c1-18-12-19(2)15-29(14-18)16-21-6-4-20(5-7-21)13-25-24(31)30-10-8-22(9-11-30)23-27-26-17-28(23)3/h4-7,17-19,22H,8-16H2,1-3H3,(H,25,31)
InChIKeyPDRXYNGRKBHJBG-UHFFFAOYSA-N
XLogP3.38
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.59
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 154773668
4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-N-[(4-methylphenyl)methyl]piperidine-1-carboxamide
CID 92731401
4-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide
CID 115584087
N-[(4-chlorophenyl)methyl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine-1-carboxamide
CID 90592378
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]oxolane-2-carboxamide
CID 47042015
cis-(1S,2R)-N-[[4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]-2-methylcyclopropane-1-carboxamide
CID 99845322
1-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
CID 95841300
N-benzyl-4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidine-1-carboxamide
CID 110405406
(3S)-1-acetyl-N-[[4-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 100853149
N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 127654977
methyl 3-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-oxopropanoate
CID 134069581
N-[(4-aminophenyl)methyl]-4-methylpiperidine-1-carboxamide
CID 79160564

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The IUPAC name of N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide (CID 112835991) is N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide is CC1CC(C)CN(Cc2ccc(CNC(=O)N3CCC(c4nncn4C)CC3)cc2)C1.
What is the InChIKey of N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The InChIKey is PDRXYNGRKBHJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N6O/c1-18-12-19(2)15-29(14-18)16-21-6-4-20(5-7-21)13-25-24(31)30-10-8-22(9-11-30)23-27-26-17-28(23)3/h4-7,17-19,22H,8-16H2,1-3H3,(H,25,31).
What are the key properties of N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide has a molecular weight of 424.59 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 112835991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).