3-(1-methylpiperidin-2-yl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide

C18H25N5O — CID 131897537

IUPAC3-(1-methylpiperidin-2-yl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide
SMILESCc1nc(-c2ccc(NC(=O)CCC3CCCCN3C)cc2)n[nH]1
InChIInChI=1S/C18H25N5O/c1-13-19-18(22-21-13)14-6-8-15(9-7-14)20-17(24)11-10-16-5-3-4-12-23(16)2/h6-9,16H,3-5,10-12H2,1-2H3,(H,20,24)(H,19,21,22)
InChIKeyXKIPJQRFGFRVKZ-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.98
Rot. Bonds5

About 3-(1-methylpiperidin-2-yl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide

3-(1-methylpiperidin-2-yl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide (PubChem CID 131897537) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 3-(1-methylpiperidin-2-yl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(1-methylpiperidin-2-yl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide
PubChem CID131897537
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name3-(1-methylpiperidin-2-yl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide
SMILESCc1nc(-c2ccc(NC(=O)CCC3CCCCN3C)cc2)n[nH]1
InChIInChI=1S/C18H25N5O/c1-13-19-18(22-21-13)14-6-8-15(9-7-14)20-17(24)11-10-16-5-3-4-12-23(16)2/h6-9,16H,3-5,10-12H2,1-2H3,(H,20,24)(H,19,21,22)
InChIKeyXKIPJQRFGFRVKZ-UHFFFAOYSA-N
XLogP2.98
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(4-methylphenyl)-2-(1-methylpiperidin-2-yl)acetamide
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N-(1-ethyl-2-methylindol-5-yl)-3-(1-methylpiperidin-2-yl)propanamide
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N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-3-cyclopentylpropanamide;hydrochloride
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N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]piperidine-3-carboxamide
CID 119311516
(3R)-1-[2-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoylamino]ethyl]piperidine-3-carboxamide
CID 125166749
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CID 49423955
N-(2,6-difluorophenyl)-3-(1-methylpiperidin-2-yl)propanamide
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N-(4-methylphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide
CID 110856788
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-3-cyclobutylpropanamide;hydrochloride
CID 120566270
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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpiperidin-2-yl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide?
The IUPAC name of 3-(1-methylpiperidin-2-yl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide (CID 131897537) is 3-(1-methylpiperidin-2-yl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide.
What is the SMILES notation for 3-(1-methylpiperidin-2-yl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide?
The canonical SMILES for 3-(1-methylpiperidin-2-yl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide is Cc1nc(-c2ccc(NC(=O)CCC3CCCCN3C)cc2)n[nH]1.
What is the InChIKey of 3-(1-methylpiperidin-2-yl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide?
The InChIKey is XKIPJQRFGFRVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-13-19-18(22-21-13)14-6-8-15(9-7-14)20-17(24)11-10-16-5-3-4-12-23(16)2/h6-9,16H,3-5,10-12H2,1-2H3,(H,20,24)(H,19,21,22).
What are the key properties of 3-(1-methylpiperidin-2-yl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide?
3-(1-methylpiperidin-2-yl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide has a molecular weight of 327.43 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpiperidin-2-yl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide is sourced from PubChem (CID 131897537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).