N-ethyl-N-(piperidin-3-ylmethyl)-2-(1,2,4-triazol-1-yl)propanamide

C13H23N5O — CID 106629632

IUPACN-ethyl-N-(piperidin-3-ylmethyl)-2-(1,2,4-triazol-1-yl)propanamide
SMILESCCN(CC1CCCNC1)C(=O)C(C)n1cncn1
InChIInChI=1S/C13H23N5O/c1-3-17(8-12-5-4-6-14-7-12)13(19)11(2)18-10-15-9-16-18/h9-12,14H,3-8H2,1-2H3
InChIKeyFUOLDKVFZYOFTO-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.69
Rot. Bonds5

About N-ethyl-N-(piperidin-3-ylmethyl)-2-(1,2,4-triazol-1-yl)propanamide

N-ethyl-N-(piperidin-3-ylmethyl)-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 106629632) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is N-ethyl-N-(piperidin-3-ylmethyl)-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-ethyl-N-(piperidin-3-ylmethyl)-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID106629632
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC NameN-ethyl-N-(piperidin-3-ylmethyl)-2-(1,2,4-triazol-1-yl)propanamide
SMILESCCN(CC1CCCNC1)C(=O)C(C)n1cncn1
InChIInChI=1S/C13H23N5O/c1-3-17(8-12-5-4-6-14-7-12)13(19)11(2)18-10-15-9-16-18/h9-12,14H,3-8H2,1-2H3
InChIKeyFUOLDKVFZYOFTO-UHFFFAOYSA-N
XLogP0.69
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(piperidin-3-ylmethyl)-N-propyl-2-(1,2,4-triazol-1-yl)acetamide
CID 106628190
N-ethyl-N-(piperidin-3-ylmethyl)propanamide
CID 106629408
N-ethyl-N-prop-2-ynyl-2-(1,2,4-triazol-1-yl)propanamide
CID 78957977
N-(2-amino-2-oxoethyl)-N-pyrrolidin-3-yl-2-(1,2,4-triazol-1-yl)propanamide
CID 54923886
N-ethyl-3-imidazol-1-yl-N-(piperidin-3-ylmethyl)propanamide
CID 106629654
N-ethyl-3,4,4-trimethyl-N-(piperidin-3-ylmethyl)pentanamide
CID 106629403
1,3-diethyl-1-(piperidin-3-ylmethyl)urea
CID 106629944
N,1-diethyl-N-(piperidin-3-ylmethyl)pyrrole-2-carboxamide
CID 106629268
N-ethyl-5-methyl-N-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 106629522
1-cyclopropyl-3,3-diethyl-1-(piperidin-3-ylmethyl)urea
CID 106629978
N-ethyl-3-methoxy-N-(piperidin-3-ylmethyl)propanamide
CID 106629400
methyl 2-[propyl-[2-(1,2,4-triazol-1-yl)propanoyl]amino]acetate
CID 55005715

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(piperidin-3-ylmethyl)-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-ethyl-N-(piperidin-3-ylmethyl)-2-(1,2,4-triazol-1-yl)propanamide (CID 106629632) is N-ethyl-N-(piperidin-3-ylmethyl)-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-ethyl-N-(piperidin-3-ylmethyl)-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-ethyl-N-(piperidin-3-ylmethyl)-2-(1,2,4-triazol-1-yl)propanamide is CCN(CC1CCCNC1)C(=O)C(C)n1cncn1.
What is the InChIKey of N-ethyl-N-(piperidin-3-ylmethyl)-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is FUOLDKVFZYOFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-3-17(8-12-5-4-6-14-7-12)13(19)11(2)18-10-15-9-16-18/h9-12,14H,3-8H2,1-2H3.
What are the key properties of N-ethyl-N-(piperidin-3-ylmethyl)-2-(1,2,4-triazol-1-yl)propanamide?
N-ethyl-N-(piperidin-3-ylmethyl)-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 265.36 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(piperidin-3-ylmethyl)-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 106629632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).