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

C24H28N6O2 — CID 56519846

IUPACN-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-4-(3-phenylpropanoylamino)piperidine-1-carboxamide
SMILESCc1nc(-c2cccc(NC(=O)N3CCC(NC(=O)CCc4ccccc4)CC3)c2)n[nH]1
InChIInChI=1S/C24H28N6O2/c1-17-25-23(29-28-17)19-8-5-9-21(16-19)27-24(32)30-14-12-20(13-15-30)26-22(31)11-10-18-6-3-2-4-7-18/h2-9,16,20H,10-15H2,1H3,(H,26,31)(H,27,32)(H,25,28,29)
InChIKeyXZGZRCCBUAEGMY-UHFFFAOYSA-N
MW432.53 g/mol
LogP3.53
Rot. Bonds6

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

N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-4-(3-phenylpropanoylamino)piperidine-1-carboxamide (PubChem CID 56519846) has the molecular formula C24H28N6O2 and a molecular weight of 432.53 g/mol. Its IUPAC name is N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-4-(3-phenylpropanoylamino)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-4-(3-phenylpropanoylamino)piperidine-1-carboxamide
PubChem CID56519846
Molecular FormulaC24H28N6O2
Molecular Weight432.53 g/mol
Exact Mass432.23
IUPAC NameN-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-4-(3-phenylpropanoylamino)piperidine-1-carboxamide
SMILESCc1nc(-c2cccc(NC(=O)N3CCC(NC(=O)CCc4ccccc4)CC3)c2)n[nH]1
InChIInChI=1S/C24H28N6O2/c1-17-25-23(29-28-17)19-8-5-9-21(16-19)27-24(32)30-14-12-20(13-15-30)26-22(31)11-10-18-6-3-2-4-7-18/h2-9,16,20H,10-15H2,1H3,(H,26,31)(H,27,32)(H,25,28,29)
InChIKeyXZGZRCCBUAEGMY-UHFFFAOYSA-N
XLogP3.53
TPSA103.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylamino)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 60928278
3-amino-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide
CID 54862643
4-[3-(2,4-dimethylphenyl)propanoylamino]-N-phenylpiperidine-1-carboxamide
CID 51324491
4-[3-(4-methyl-1,2,4-triazol-3-yl)propanoylamino]-N-phenylpiperidine-1-carboxamide
CID 77091525
N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(oxan-3-yl)acetamide
CID 131932133
N-(1-benzoylpiperidin-4-yl)-3-phenylpropanamide
CID 46464328
4-[3-(1,3-benzothiazol-2-yl)propanoylamino]-N-phenylpiperidine-1-carboxamide
CID 55502240
2-methoxy-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 60911506
3-(4-methylphenyl)-N-[1-(4-phenylbenzoyl)piperidin-4-yl]propanamide
CID 108556350
4-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-phenylpiperidine-1-carboxamide
CID 55502231
N-[1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]-3-phenylpropanamide
CID 55874101
N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(4-pyrrol-1-ylphenyl)acetamide
CID 52668609

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-4-(3-phenylpropanoylamino)piperidine-1-carboxamide?
The IUPAC name of N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-4-(3-phenylpropanoylamino)piperidine-1-carboxamide (CID 56519846) is N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-4-(3-phenylpropanoylamino)piperidine-1-carboxamide.
What is the SMILES notation for N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-4-(3-phenylpropanoylamino)piperidine-1-carboxamide?
The canonical SMILES for N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-4-(3-phenylpropanoylamino)piperidine-1-carboxamide is Cc1nc(-c2cccc(NC(=O)N3CCC(NC(=O)CCc4ccccc4)CC3)c2)n[nH]1.
What is the InChIKey of N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-4-(3-phenylpropanoylamino)piperidine-1-carboxamide?
The InChIKey is XZGZRCCBUAEGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2/c1-17-25-23(29-28-17)19-8-5-9-21(16-19)27-24(32)30-14-12-20(13-15-30)26-22(31)11-10-18-6-3-2-4-7-18/h2-9,16,20H,10-15H2,1H3,(H,26,31)(H,27,32)(H,25,28,29).
What are the key properties of N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-4-(3-phenylpropanoylamino)piperidine-1-carboxamide?
N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-4-(3-phenylpropanoylamino)piperidine-1-carboxamide has a molecular weight of 432.53 g/mol, XLogP of 3.53, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-4-(3-phenylpropanoylamino)piperidine-1-carboxamide is sourced from PubChem (CID 56519846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).