N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-phenylpropanamide

C17H23N5O — CID 120642790

IUPACN-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-phenylpropanamide
SMILESCn1nc(C2CCNCC2)nc1NC(=O)CCc1ccccc1
InChIInChI=1S/C17H23N5O/c1-22-17(20-16(21-22)14-9-11-18-12-10-14)19-15(23)8-7-13-5-3-2-4-6-13/h2-6,14,18H,7-12H2,1H3,(H,19,20,21,23)
InChIKeyZXKIZCWQFBFOKJ-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.85
Rot. Bonds5

About N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-phenylpropanamide

N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-phenylpropanamide (PubChem CID 120642790) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-phenylpropanamide
PubChem CID120642790
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC NameN-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-phenylpropanamide
SMILESCn1nc(C2CCNCC2)nc1NC(=O)CCc1ccccc1
InChIInChI=1S/C17H23N5O/c1-22-17(20-16(21-22)14-9-11-18-12-10-14)19-15(23)8-7-13-5-3-2-4-6-13/h2-6,14,18H,7-12H2,1H3,(H,19,20,21,23)
InChIKeyZXKIZCWQFBFOKJ-UHFFFAOYSA-N
XLogP1.85
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide
CID 120642245
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-(4-propan-2-ylphenyl)propanamide
CID 120643034
3-(furan-3-yl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide
CID 120644600
3-(3,5-dimethylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride
CID 120644988
3-(4-ethoxyphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride
CID 120644136
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-(4-propoxyphenyl)propanamide;hydrochloride
CID 120644292
2-(3-ethylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide;hydrochloride
CID 120643521
4-(1H-benzimidazol-2-yl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)butanamide
CID 120642758
N-[2-[(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)amino]-2-oxoethyl]benzamide;hydrochloride
CID 120642991
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-(1,3-thiazol-4-yl)propanamide;hydrochloride
CID 120644530
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-4-thiophen-2-ylbutanamide;hydrochloride
CID 120642605
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]propanamide
CID 120644075

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-phenylpropanamide?
The IUPAC name of N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-phenylpropanamide (CID 120642790) is N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-phenylpropanamide.
What is the SMILES notation for N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-phenylpropanamide?
The canonical SMILES for N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-phenylpropanamide is Cn1nc(C2CCNCC2)nc1NC(=O)CCc1ccccc1.
What is the InChIKey of N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-phenylpropanamide?
The InChIKey is ZXKIZCWQFBFOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-22-17(20-16(21-22)14-9-11-18-12-10-14)19-15(23)8-7-13-5-3-2-4-6-13/h2-6,14,18H,7-12H2,1H3,(H,19,20,21,23).
What are the key properties of N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-phenylpropanamide?
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-phenylpropanamide has a molecular weight of 313.40 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-phenylpropanamide is sourced from PubChem (CID 120642790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).