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

C12H21N5O — CID 64530153

IUPAC3-piperidin-3-yl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
SMILESO=C(CCC1CCCNC1)NCCc1ncn[nH]1
InChIInChI=1S/C12H21N5O/c18-12(4-3-10-2-1-6-13-8-10)14-7-5-11-15-9-16-17-11/h9-10,13H,1-8H2,(H,14,18)(H,15,16,17)
InChIKeyCSKMOTKMXNFDFK-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.24
Rot. Bonds6

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

3-piperidin-3-yl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide (PubChem CID 64530153) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-piperidin-3-yl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-piperidin-3-yl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
PubChem CID64530153
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name3-piperidin-3-yl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
SMILESO=C(CCC1CCCNC1)NCCc1ncn[nH]1
InChIInChI=1S/C12H21N5O/c18-12(4-3-10-2-1-6-13-8-10)14-7-5-11-15-9-16-17-11/h9-10,13H,1-8H2,(H,14,18)(H,15,16,17)
InChIKeyCSKMOTKMXNFDFK-UHFFFAOYSA-N
XLogP0.24
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-piperidin-3-yl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-piperidin-3-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propanamide
CID 64531341
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
N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-piperidin-3-ylpropanamide
CID 62040266
3-piperidin-4-yloxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 64530751
3-cyclopentyl-N-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]propanamide
CID 119555898
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-piperidin-3-ylpropanamide
CID 63330246
N-(3-cyclopentylpropyl)-3-piperidin-3-ylpropanamide
CID 106011682
2-(cyclopropylmethylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64532137
3-(oxolan-3-yl)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119557757
3-(4-fluorophenyl)-N-[2-[(3S)-piperidin-3-yl]ethyl]propanamide
CID 99776078
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]dodecanamide
CID 65426736

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-3-yl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide?
The IUPAC name of 3-piperidin-3-yl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide (CID 64530153) is 3-piperidin-3-yl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide.
What is the SMILES notation for 3-piperidin-3-yl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide?
The canonical SMILES for 3-piperidin-3-yl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide is O=C(CCC1CCCNC1)NCCc1ncn[nH]1.
What is the InChIKey of 3-piperidin-3-yl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide?
The InChIKey is CSKMOTKMXNFDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c18-12(4-3-10-2-1-6-13-8-10)14-7-5-11-15-9-16-17-11/h9-10,13H,1-8H2,(H,14,18)(H,15,16,17).
What are the key properties of 3-piperidin-3-yl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide?
3-piperidin-3-yl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide has a molecular weight of 251.33 g/mol, XLogP of 0.24, 6 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-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide is sourced from PubChem (CID 64530153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).