3-piperidin-4-yl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide

C11H19N5O — CID 55049437

IUPAC3-piperidin-4-yl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
SMILESO=C(CCC1CCNCC1)NCc1ncn[nH]1
InChIInChI=1S/C11H19N5O/c17-11(13-7-10-14-8-15-16-10)2-1-9-3-5-12-6-4-9/h8-9,12H,1-7H2,(H,13,17)(H,14,15,16)
InChIKeyPCIMSSJLEHYDFL-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.20
Rot. Bonds5

About 3-piperidin-4-yl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide

3-piperidin-4-yl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide (PubChem CID 55049437) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 3-piperidin-4-yl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide.

Molecular Properties

Compound Name3-piperidin-4-yl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
PubChem CID55049437
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name3-piperidin-4-yl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
SMILESO=C(CCC1CCNCC1)NCc1ncn[nH]1
InChIInChI=1S/C11H19N5O/c17-11(13-7-10-14-8-15-16-10)2-1-9-3-5-12-6-4-9/h8-9,12H,1-7H2,(H,13,17)(H,14,15,16)
InChIKeyPCIMSSJLEHYDFL-UHFFFAOYSA-N
XLogP0.20
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-Ethylhexyl)-1H-1,2,4-triazole-3-carboxamide
CID 580553
1H-[1,2,4]Triazole-3-carboxylic acid (4-methylcyclohexyl)amide
CID 1250680
1-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-N-methylpiperidine-1,4-dicarboxamide
CID 71892913
1-[4-(1-piperidinyl)butanoyl]-4-(4H-1,2,4-triazol-3-yl)piperidine
CID 72871952
cyclopentyl-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 110194773
1-Cyclopentanecarbonyl-4-[(5-methyl-4H-1,2,4-triazol-3-YL)methyl]piperidine
CID 110196460
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 113252233
N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 119037063
N,1-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclobutane-1-carboxamide
CID 136512967
cis-(1R,3S)-1,2,2,3-tetramethyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclopentane-1-carboxamide
CID 137995501
N-(1-(2-(piperidin-4-yl)acetyl)piperidin-4-yl)-4H-1,2,4-triazole-3-carboxamide
CID 132227966
N-(1-((1r,4r)-4-aminocyclohexane-1-carbonyl)piperidin-4-yl)-4H-1,2,4-triazole-3-carboxamide
CID 132227976

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
The IUPAC name of 3-piperidin-4-yl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide (CID 55049437) is 3-piperidin-4-yl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide.
What is the SMILES notation for 3-piperidin-4-yl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
The canonical SMILES for 3-piperidin-4-yl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide is O=C(CCC1CCNCC1)NCc1ncn[nH]1.
What is the InChIKey of 3-piperidin-4-yl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
The InChIKey is PCIMSSJLEHYDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c17-11(13-7-10-14-8-15-16-10)2-1-9-3-5-12-6-4-9/h8-9,12H,1-7H2,(H,13,17)(H,14,15,16).
What are the key properties of 3-piperidin-4-yl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
3-piperidin-4-yl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide has a molecular weight of 237.31 g/mol, XLogP of 0.20, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide is sourced from PubChem (CID 55049437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).