2-(1-ethylpiperidin-4-yl)-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide

C14H25N5O — CID 97190566

IUPAC2-(1-ethylpiperidin-4-yl)-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESCCN1CCC(CC(=O)N[C@H](C)c2nncn2C)CC1
InChIInChI=1S/C14H25N5O/c1-4-19-7-5-12(6-8-19)9-13(20)16-11(2)14-17-15-10-18(14)3/h10-12H,4-9H2,1-3H3,(H,16,20)/t11-/m1/s1
InChIKeyHPYXYDVZPKVCAL-LLVKDONJSA-N
MW279.39 g/mol
LogP1.11
Rot. Bonds5

About 2-(1-ethylpiperidin-4-yl)-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide

2-(1-ethylpiperidin-4-yl)-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide (PubChem CID 97190566) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 2-(1-ethylpiperidin-4-yl)-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(1-ethylpiperidin-4-yl)-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
PubChem CID97190566
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name2-(1-ethylpiperidin-4-yl)-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESCCN1CCC(CC(=O)N[C@H](C)c2nncn2C)CC1
InChIInChI=1S/C14H25N5O/c1-4-19-7-5-12(6-8-19)9-13(20)16-11(2)14-17-15-10-18(14)3/h10-12H,4-9H2,1-3H3,(H,16,20)/t11-/m1/s1
InChIKeyHPYXYDVZPKVCAL-LLVKDONJSA-N
XLogP1.11
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(1-ethylpiperidin-4-yl)-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide with MolForge

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Related Compounds

2-(1-ethylpiperidin-4-yl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 72855447
N-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-(1-propylpiperidin-4-yl)acetamide
CID 97204090
2-(1-ethylpiperidin-4-yl)-N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 72857465
4-(2-amino-2-oxoethyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide
CID 71892968
2-(1-ethylpiperidin-4-yl)-N-propan-2-ylacetamide
CID 177202345
N-[(1R)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 97192390
2-(1-ethylpiperidin-4-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide
CID 72845666
3-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]butanamide
CID 60837807
3-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-sulfanylidenepropanamide
CID 62117174
6-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-6-oxohexanoic acid
CID 54867805
5-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-5-oxopentanoic acid
CID 54867804
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-(2-propan-2-ylphenyl)acetamide
CID 155960696

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpiperidin-4-yl)-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide?
The IUPAC name of 2-(1-ethylpiperidin-4-yl)-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide (CID 97190566) is 2-(1-ethylpiperidin-4-yl)-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(1-ethylpiperidin-4-yl)-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(1-ethylpiperidin-4-yl)-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide is CCN1CCC(CC(=O)N[C@H](C)c2nncn2C)CC1.
What is the InChIKey of 2-(1-ethylpiperidin-4-yl)-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide?
The InChIKey is HPYXYDVZPKVCAL-LLVKDONJSA-N. The full InChI is InChI=1S/C14H25N5O/c1-4-19-7-5-12(6-8-19)9-13(20)16-11(2)14-17-15-10-18(14)3/h10-12H,4-9H2,1-3H3,(H,16,20)/t11-/m1/s1.
What are the key properties of 2-(1-ethylpiperidin-4-yl)-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide?
2-(1-ethylpiperidin-4-yl)-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide has a molecular weight of 279.39 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpiperidin-4-yl)-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide is sourced from PubChem (CID 97190566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).