N-[1-[3-(1,2,4-triazol-1-yl)propyl]piperidin-4-yl]acetamide

C12H21N5O — CID 49438511

IUPACN-[1-[3-(1,2,4-triazol-1-yl)propyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(CCCn2cncn2)CC1
InChIInChI=1S/C12H21N5O/c1-11(18)15-12-3-7-16(8-4-12)5-2-6-17-10-13-9-14-17/h9-10,12H,2-8H2,1H3,(H,15,18)
InChIKeyTZRJLJBLXRQULY-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.27
Rot. Bonds5

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

N-[1-[3-(1,2,4-triazol-1-yl)propyl]piperidin-4-yl]acetamide (PubChem CID 49438511) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[1-[3-(1,2,4-triazol-1-yl)propyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[3-(1,2,4-triazol-1-yl)propyl]piperidin-4-yl]acetamide
PubChem CID49438511
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC NameN-[1-[3-(1,2,4-triazol-1-yl)propyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(CCCn2cncn2)CC1
InChIInChI=1S/C12H21N5O/c1-11(18)15-12-3-7-16(8-4-12)5-2-6-17-10-13-9-14-17/h9-10,12H,2-8H2,1H3,(H,15,18)
InChIKeyTZRJLJBLXRQULY-UHFFFAOYSA-N
XLogP0.27
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methylpiperidin-1-yl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 45823979
N-(2-piperidin-1-ylethyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 45893430
2,2-dimethyl-N-[3-(1,2,4-triazol-1-yl)propyl]propanamide
CID 47029800
3-methyl-N-[3-(1,2,4-triazol-1-yl)propyl]piperidine-1-carboxamide
CID 53498427
3-pyrrolidin-1-yl-N-[3-(1,2,4-triazol-1-yl)propyl]piperidine-1-carboxamide
CID 53504535
4-piperidin-1-yl-N-[3-(1,2,4-triazol-1-yl)propyl]piperidine-1-carboxamide
CID 53517842
N-(1-ethylpiperidin-4-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 53575276
N-(1-cyclopropylpiperidin-4-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 53575294
N-(1-ethylpiperidin-4-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 53587759
N-(2-acetamidoethyl)-2-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 56802650
N-[2-(azepan-1-yl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 71897383
N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 71898049

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(1,2,4-triazol-1-yl)propyl]piperidin-4-yl]acetamide?
The IUPAC name of N-[1-[3-(1,2,4-triazol-1-yl)propyl]piperidin-4-yl]acetamide (CID 49438511) is N-[1-[3-(1,2,4-triazol-1-yl)propyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[3-(1,2,4-triazol-1-yl)propyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[3-(1,2,4-triazol-1-yl)propyl]piperidin-4-yl]acetamide is CC(=O)NC1CCN(CCCn2cncn2)CC1.
What is the InChIKey of N-[1-[3-(1,2,4-triazol-1-yl)propyl]piperidin-4-yl]acetamide?
The InChIKey is TZRJLJBLXRQULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-11(18)15-12-3-7-16(8-4-12)5-2-6-17-10-13-9-14-17/h9-10,12H,2-8H2,1H3,(H,15,18).
What are the key properties of N-[1-[3-(1,2,4-triazol-1-yl)propyl]piperidin-4-yl]acetamide?
N-[1-[3-(1,2,4-triazol-1-yl)propyl]piperidin-4-yl]acetamide has a molecular weight of 251.33 g/mol, XLogP of 0.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(1,2,4-triazol-1-yl)propyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 49438511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).