4-[3-(4-methyl-1,2,4-triazol-3-yl)propanoylamino]-N-phenylpiperidine-1-carboxamide

C18H24N6O2 — CID 77091525

IUPAC4-[3-(4-methyl-1,2,4-triazol-3-yl)propanoylamino]-N-phenylpiperidine-1-carboxamide
SMILESCn1cnnc1CCC(=O)NC1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C18H24N6O2/c1-23-13-19-22-16(23)7-8-17(25)20-15-9-11-24(12-10-15)18(26)21-14-5-3-2-4-6-14/h2-6,13,15H,7-12H2,1H3,(H,20,25)(H,21,26)
InChIKeyPSXLVMYTWKMNMW-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.56
Rot. Bonds5

About 4-[3-(4-methyl-1,2,4-triazol-3-yl)propanoylamino]-N-phenylpiperidine-1-carboxamide

4-[3-(4-methyl-1,2,4-triazol-3-yl)propanoylamino]-N-phenylpiperidine-1-carboxamide (PubChem CID 77091525) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 4-[3-(4-methyl-1,2,4-triazol-3-yl)propanoylamino]-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[3-(4-methyl-1,2,4-triazol-3-yl)propanoylamino]-N-phenylpiperidine-1-carboxamide
PubChem CID77091525
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name4-[3-(4-methyl-1,2,4-triazol-3-yl)propanoylamino]-N-phenylpiperidine-1-carboxamide
SMILESCn1cnnc1CCC(=O)NC1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C18H24N6O2/c1-23-13-19-22-16(23)7-8-17(25)20-15-9-11-24(12-10-15)18(26)21-14-5-3-2-4-6-14/h2-6,13,15H,7-12H2,1H3,(H,20,25)(H,21,26)
InChIKeyPSXLVMYTWKMNMW-UHFFFAOYSA-N
XLogP1.56
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(1,3-benzothiazol-2-yl)propanoylamino]-N-phenylpiperidine-1-carboxamide
CID 55502240
4-[3-(2,4-dimethylphenyl)propanoylamino]-N-phenylpiperidine-1-carboxamide
CID 51324491
4-(3-cyclopentylpropanoylamino)-N-phenylpiperidine-1-carboxamide
CID 46700387
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 112834941
4-(7-aminoheptanoylamino)-N-phenylpiperidine-1-carboxamide
CID 119700221
4-(4-phenoxybutanoylamino)-N-phenylpiperidine-1-carboxamide
CID 51324376
4-[[2-(2-methoxyphenoxy)acetyl]amino]-N-phenylpiperidine-1-carboxamide
CID 51324414
4-(pentanoylamino)-N-(4-phenoxyphenyl)piperidine-1-carboxamide
CID 127145242
N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-4-(3-phenylpropanoylamino)piperidine-1-carboxamide
CID 56519846
4-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-phenylpiperidine-1-carboxamide
CID 55502231
N-phenyl-4-[(2-prop-2-enylsulfanylacetyl)amino]piperidine-1-carboxamide
CID 51088852
4-[(2-naphthalen-2-ylacetyl)amino]-N-phenylpiperidine-1-carboxamide
CID 51324367

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methyl-1,2,4-triazol-3-yl)propanoylamino]-N-phenylpiperidine-1-carboxamide?
The IUPAC name of 4-[3-(4-methyl-1,2,4-triazol-3-yl)propanoylamino]-N-phenylpiperidine-1-carboxamide (CID 77091525) is 4-[3-(4-methyl-1,2,4-triazol-3-yl)propanoylamino]-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[3-(4-methyl-1,2,4-triazol-3-yl)propanoylamino]-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for 4-[3-(4-methyl-1,2,4-triazol-3-yl)propanoylamino]-N-phenylpiperidine-1-carboxamide is Cn1cnnc1CCC(=O)NC1CCN(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 4-[3-(4-methyl-1,2,4-triazol-3-yl)propanoylamino]-N-phenylpiperidine-1-carboxamide?
The InChIKey is PSXLVMYTWKMNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-23-13-19-22-16(23)7-8-17(25)20-15-9-11-24(12-10-15)18(26)21-14-5-3-2-4-6-14/h2-6,13,15H,7-12H2,1H3,(H,20,25)(H,21,26).
What are the key properties of 4-[3-(4-methyl-1,2,4-triazol-3-yl)propanoylamino]-N-phenylpiperidine-1-carboxamide?
4-[3-(4-methyl-1,2,4-triazol-3-yl)propanoylamino]-N-phenylpiperidine-1-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methyl-1,2,4-triazol-3-yl)propanoylamino]-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 77091525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).