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

C13H23N5O — CID 106628190

IUPACN-(piperidin-3-ylmethyl)-N-propyl-2-(1,2,4-triazol-1-yl)acetamide
SMILESCCCN(CC1CCCNC1)C(=O)Cn1cncn1
InChIInChI=1S/C13H23N5O/c1-2-6-17(8-12-4-3-5-14-7-12)13(19)9-18-11-15-10-16-18/h10-12,14H,2-9H2,1H3
InChIKeyXJAKMPDAQZMPMU-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.52
Rot. Bonds6

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

N-(piperidin-3-ylmethyl)-N-propyl-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 106628190) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is N-(piperidin-3-ylmethyl)-N-propyl-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(piperidin-3-ylmethyl)-N-propyl-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID106628190
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC NameN-(piperidin-3-ylmethyl)-N-propyl-2-(1,2,4-triazol-1-yl)acetamide
SMILESCCCN(CC1CCCNC1)C(=O)Cn1cncn1
InChIInChI=1S/C13H23N5O/c1-2-6-17(8-12-4-3-5-14-7-12)13(19)9-18-11-15-10-16-18/h10-12,14H,2-9H2,1H3
InChIKeyXJAKMPDAQZMPMU-UHFFFAOYSA-N
XLogP0.52
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-N-piperidin-3-yl-2-(1,2,4-triazol-1-yl)acetamide
CID 60807405
N-ethyl-N-(piperidin-3-ylmethyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 106629632
ethyl N-(piperidin-3-ylmethyl)-N-propylcarbamate
CID 106630010
N-(piperidin-3-ylmethyl)-N-propyloctanamide
CID 106628397
N-(piperidin-3-ylmethyl)-N-propylcyclopropanecarboxamide
CID 106628435
N-(piperidin-3-ylmethyl)-N-propylbicyclo[4.1.0]heptane-7-carboxamide
CID 106628333
N-[(1-methylpiperidin-3-yl)methyl]-N-(2-phenylethyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 45197006
2-[(2-methylpropan-2-yl)oxy]-N-(piperidin-3-ylmethyl)-N-propylacetamide
CID 106628164
N-ethyl-N-(piperidin-3-ylmethyl)propanamide
CID 106629408
N-(piperidin-3-ylmethyl)-N-propyl-1H-1,2,4-triazole-5-carboxamide
CID 106628118
1-methyl-N-(piperidin-3-ylmethyl)-N-propylcyclopentane-1-carboxamide
CID 106628384
N-(piperidin-3-ylmethyl)-N-propyl-3-pyridin-3-ylpropanamide
CID 106628128

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-3-ylmethyl)-N-propyl-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-(piperidin-3-ylmethyl)-N-propyl-2-(1,2,4-triazol-1-yl)acetamide (CID 106628190) is N-(piperidin-3-ylmethyl)-N-propyl-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-(piperidin-3-ylmethyl)-N-propyl-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-(piperidin-3-ylmethyl)-N-propyl-2-(1,2,4-triazol-1-yl)acetamide is CCCN(CC1CCCNC1)C(=O)Cn1cncn1.
What is the InChIKey of N-(piperidin-3-ylmethyl)-N-propyl-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is XJAKMPDAQZMPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-2-6-17(8-12-4-3-5-14-7-12)13(19)9-18-11-15-10-16-18/h10-12,14H,2-9H2,1H3.
What are the key properties of N-(piperidin-3-ylmethyl)-N-propyl-2-(1,2,4-triazol-1-yl)acetamide?
N-(piperidin-3-ylmethyl)-N-propyl-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 265.36 g/mol, XLogP of 0.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-3-ylmethyl)-N-propyl-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 106628190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).