N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-piperidin-3-ylpropanamide

C13H23N5O — CID 63330246

IUPACN-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-piperidin-3-ylpropanamide
SMILESCn1cnnc1CCNC(=O)CCC1CCCNC1
InChIInChI=1S/C13H23N5O/c1-18-10-16-17-12(18)6-8-15-13(19)5-4-11-3-2-7-14-9-11/h10-11,14H,2-9H2,1H3,(H,15,19)
InChIKeyRJFDXUBNIQCCGG-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.25
Rot. Bonds6

About N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-piperidin-3-ylpropanamide

N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-piperidin-3-ylpropanamide (PubChem CID 63330246) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-piperidin-3-ylpropanamide.

Molecular Properties

Compound NameN-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-piperidin-3-ylpropanamide
PubChem CID63330246
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC NameN-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-piperidin-3-ylpropanamide
SMILESCn1cnnc1CCNC(=O)CCC1CCCNC1
InChIInChI=1S/C13H23N5O/c1-18-10-16-17-12(18)6-8-15-13(19)5-4-11-3-2-7-14-9-11/h10-11,14H,2-9H2,1H3,(H,15,19)
InChIKeyRJFDXUBNIQCCGG-UHFFFAOYSA-N
XLogP0.25
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-piperidin-3-ylmethanesulfonamide
CID 55201911
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-piperidin-4-ylsulfanylacetamide
CID 114627546
3-piperidin-3-yl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 64530153
N-[2-(1-methylpiperidin-4-yl)ethyl]-3-piperidin-3-ylpropanamide
CID 114515740
4-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]azepane
CID 176697634
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-3-sulfonamide
CID 63330269
2-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 63330181
N-(3-cyclopentylpropyl)-3-piperidin-3-ylpropanamide
CID 106011682
N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-piperidin-3-ylpropanamide
CID 62040266
3-piperidin-3-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propanamide
CID 64531341
3-cyclopentyl-N-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]propanamide
CID 119555898
2-[1-(aminomethyl)cyclobutyl]-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 81168802

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-piperidin-3-ylpropanamide?
The IUPAC name of N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-piperidin-3-ylpropanamide (CID 63330246) is N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-piperidin-3-ylpropanamide.
What is the SMILES notation for N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-piperidin-3-ylpropanamide?
The canonical SMILES for N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-piperidin-3-ylpropanamide is Cn1cnnc1CCNC(=O)CCC1CCCNC1.
What is the InChIKey of N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-piperidin-3-ylpropanamide?
The InChIKey is RJFDXUBNIQCCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-18-10-16-17-12(18)6-8-15-13(19)5-4-11-3-2-7-14-9-11/h10-11,14H,2-9H2,1H3,(H,15,19).
What are the key properties of N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-piperidin-3-ylpropanamide?
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-piperidin-3-ylpropanamide has a molecular weight of 265.36 g/mol, XLogP of 0.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-piperidin-3-ylpropanamide is sourced from PubChem (CID 63330246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).