2-(4-methylpiperidin-1-yl)-N-[(1R)-1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide

C12H21N5O2 — CID 136890785

IUPAC2-(4-methylpiperidin-1-yl)-N-[(1R)-1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESCC1CCN(CC(=O)N[C@H](C)c2n[nH]c(=O)[nH]2)CC1
InChIInChI=1S/C12H21N5O2/c1-8-3-5-17(6-4-8)7-10(18)13-9(2)11-14-12(19)16-15-11/h8-9H,3-7H2,1-2H3,(H,13,18)(H2,14,15,16,19)/t9-/m1/s1
InChIKeyFSSOKVWKWAWKEI-SECBINFHSA-N
MW267.33 g/mol
LogP0.01
Rot. Bonds4

About 2-(4-methylpiperidin-1-yl)-N-[(1R)-1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide

2-(4-methylpiperidin-1-yl)-N-[(1R)-1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide (PubChem CID 136890785) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-(4-methylpiperidin-1-yl)-N-[(1R)-1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-methylpiperidin-1-yl)-N-[(1R)-1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide
PubChem CID136890785
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name2-(4-methylpiperidin-1-yl)-N-[(1R)-1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESCC1CCN(CC(=O)N[C@H](C)c2n[nH]c(=O)[nH]2)CC1
InChIInChI=1S/C12H21N5O2/c1-8-3-5-17(6-4-8)7-10(18)13-9(2)11-14-12(19)16-15-11/h8-9H,3-7H2,1-2H3,(H,13,18)(H2,14,15,16,19)/t9-/m1/s1
InChIKeyFSSOKVWKWAWKEI-SECBINFHSA-N
XLogP0.01
TPSA93.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(4-methylpiperidin-1-yl)-N-[(1R)-1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide with MolForge

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Related Compounds

4-ethyl-5-({1-[(2-ethylpiperidin-1-yl)acetyl]piperidin-4-yl}methyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 50956423
N,N-diethyl-2-[4-ethyl-5-oxo-3-(piperidin-4-ylmethyl)-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetamide
CID 50971169
(2S)-2-amino-4-methyl-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]pentanamide
CID 136631246
(2S)-2-amino-N,4-dimethyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]pentanamide
CID 136997103
N-[1-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]ethyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 137255352
4-[[(5-Oxo-1,4-dihydro-1,2,4-triazole-3-carbonyl)amino]methyl]piperidine-1-carboxylic acid
CID 140456152
N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 146193093
3-[3-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]butanoyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 148896034
N-[2-(3-methylpiperidin-1-yl)propyl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide
CID 48168666
4-ethyl-3-(2-{4-[(4-ethyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-2-oxoethyl)piperazin-2-one
CID 50961150
6-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-2H-1,2,4-triazine-3,5-dione
CID 54963692
6-[4-(methylaminomethyl)piperidin-1-yl]-2H-1,2,4-triazine-3,5-dione
CID 55169107

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-1-yl)-N-[(1R)-1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide?
The IUPAC name of 2-(4-methylpiperidin-1-yl)-N-[(1R)-1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide (CID 136890785) is 2-(4-methylpiperidin-1-yl)-N-[(1R)-1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-methylpiperidin-1-yl)-N-[(1R)-1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-methylpiperidin-1-yl)-N-[(1R)-1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide is CC1CCN(CC(=O)N[C@H](C)c2n[nH]c(=O)[nH]2)CC1.
What is the InChIKey of 2-(4-methylpiperidin-1-yl)-N-[(1R)-1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide?
The InChIKey is FSSOKVWKWAWKEI-SECBINFHSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-8-3-5-17(6-4-8)7-10(18)13-9(2)11-14-12(19)16-15-11/h8-9H,3-7H2,1-2H3,(H,13,18)(H2,14,15,16,19)/t9-/m1/s1.
What are the key properties of 2-(4-methylpiperidin-1-yl)-N-[(1R)-1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide?
2-(4-methylpiperidin-1-yl)-N-[(1R)-1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide has a molecular weight of 267.33 g/mol, XLogP of 0.01, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-1-yl)-N-[(1R)-1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide is sourced from PubChem (CID 136890785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).