3-piperidin-3-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propanamide

C13H23N5O — CID 64531341

IUPAC3-piperidin-3-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propanamide
SMILESO=C(CCC1CCCNC1)NCCCc1ncn[nH]1
InChIInChI=1S/C13H23N5O/c19-13(6-5-11-3-1-7-14-9-11)15-8-2-4-12-16-10-17-18-12/h10-11,14H,1-9H2,(H,15,19)(H,16,17,18)
InChIKeyRCHFBUAQTGZQID-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.63
Rot. Bonds7

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

3-piperidin-3-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propanamide (PubChem CID 64531341) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-piperidin-3-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propanamide.

Molecular Properties

Compound Name3-piperidin-3-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propanamide
PubChem CID64531341
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name3-piperidin-3-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propanamide
SMILESO=C(CCC1CCCNC1)NCCCc1ncn[nH]1
InChIInChI=1S/C13H23N5O/c19-13(6-5-11-3-1-7-14-9-11)15-8-2-4-12-16-10-17-18-12/h10-11,14H,1-9H2,(H,15,19)(H,16,17,18)
InChIKeyRCHFBUAQTGZQID-UHFFFAOYSA-N
XLogP0.63
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-piperidin-3-yl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 64530153
N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-piperidin-3-ylpropanamide
CID 62040266
N-(3-cyclopentylpropyl)-3-piperidin-3-ylpropanamide
CID 106011682
3-chloro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propanamide
CID 64530629
2-cyclobutyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 103725330
3-cyclohexyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 54883297
2-(cyclopropylamino)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide
CID 64531149
3-cyclopentyl-N-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]propanamide
CID 119555898
4-hydroxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pentanamide
CID 79192690
N-[3-(1H-1,2,4-triazol-5-yl)propyl]morpholine-2-carboxamide
CID 64531342
3-piperidin-4-yloxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 64530751
6-acetamido-N-[3-(1H-1,2,4-triazol-5-yl)propyl]hexanamide
CID 64547268

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-3-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propanamide?
The IUPAC name of 3-piperidin-3-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propanamide (CID 64531341) is 3-piperidin-3-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propanamide.
What is the SMILES notation for 3-piperidin-3-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propanamide?
The canonical SMILES for 3-piperidin-3-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propanamide is O=C(CCC1CCCNC1)NCCCc1ncn[nH]1.
What is the InChIKey of 3-piperidin-3-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propanamide?
The InChIKey is RCHFBUAQTGZQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c19-13(6-5-11-3-1-7-14-9-11)15-8-2-4-12-16-10-17-18-12/h10-11,14H,1-9H2,(H,15,19)(H,16,17,18).
What are the key properties of 3-piperidin-3-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propanamide?
3-piperidin-3-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propanamide has a molecular weight of 265.36 g/mol, XLogP of 0.63, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-3-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propanamide is sourced from PubChem (CID 64531341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).