N-(1-benzylpiperidin-4-yl)-2-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]propanamide

C22H32N6O — CID 60613965

IUPACN-(1-benzylpiperidin-4-yl)-2-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]propanamide
SMILESCC(C(=O)NC1CCN(Cc2ccccc2)CC1)N1CCC(n2cncn2)CC1
InChIInChI=1S/C22H32N6O/c1-18(27-13-9-21(10-14-27)28-17-23-16-24-28)22(29)25-20-7-11-26(12-8-20)15-19-5-3-2-4-6-19/h2-6,16-18,20-21H,7-15H2,1H3,(H,25,29)
InChIKeyZANBQCWPMVISNM-UHFFFAOYSA-N
MW396.54 g/mol
LogP2.08
Rot. Bonds6

About N-(1-benzylpiperidin-4-yl)-2-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]propanamide

N-(1-benzylpiperidin-4-yl)-2-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]propanamide (PubChem CID 60613965) has the molecular formula C22H32N6O and a molecular weight of 396.54 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]propanamide
PubChem CID60613965
Molecular FormulaC22H32N6O
Molecular Weight396.54 g/mol
Exact Mass396.26
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]propanamide
SMILESCC(C(=O)NC1CCN(Cc2ccccc2)CC1)N1CCC(n2cncn2)CC1
InChIInChI=1S/C22H32N6O/c1-18(27-13-9-21(10-14-27)28-17-23-16-24-28)22(29)25-20-7-11-26(12-8-20)15-19-5-3-2-4-6-19/h2-6,16-18,20-21H,7-15H2,1H3,(H,25,29)
InChIKeyZANBQCWPMVISNM-UHFFFAOYSA-N
XLogP2.08
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1-benzylpiperidin-4-yl)-2-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-(4-benzylpiperazin-1-yl)-N-cyclopentylpropanamide
CID 2410459
(2S)-2-(4-benzylpiperazin-1-yl)-N-cyclohexylpropanamide
CID 51613241
(2S)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-2-(1,2,4-triazol-1-yl)propanamide
CID 129368215
N-(1-benzylpiperidin-4-yl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 47020366
2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(1-benzylpiperidin-4-yl)propanamide
CID 55525539
N-[1-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]piperidin-4-yl]-5-methylthiophene-2-carboxamide
CID 60606891
1-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]-N-methylazetidine-3-carboxamide
CID 119034158
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)propanamide
CID 770488
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]propanamide
CID 60607932
(2R)-N-(tert-butylcarbamoyl)-2-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]propanamide
CID 94796955
2-(4-benzyl-1,4-diazepan-1-yl)-N-(cyclohexylcarbamoyl)propanamide
CID 55511454
N-(1-benzylpiperidin-4-yl)-2-phenoxypropanamide
CID 3246759

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]propanamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]propanamide (CID 60613965) is N-(1-benzylpiperidin-4-yl)-2-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]propanamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]propanamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]propanamide is CC(C(=O)NC1CCN(Cc2ccccc2)CC1)N1CCC(n2cncn2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]propanamide?
The InChIKey is ZANBQCWPMVISNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N6O/c1-18(27-13-9-21(10-14-27)28-17-23-16-24-28)22(29)25-20-7-11-26(12-8-20)15-19-5-3-2-4-6-19/h2-6,16-18,20-21H,7-15H2,1H3,(H,25,29).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]propanamide?
N-(1-benzylpiperidin-4-yl)-2-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]propanamide has a molecular weight of 396.54 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]propanamide is sourced from PubChem (CID 60613965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).