4-ethyl-3-[[1-[2-[(2R)-2-ethylpiperidin-1-yl]acetyl]piperidin-4-yl]methyl]-1H-1,2,4-triazol-5-one

C19H33N5O2 — CID 95123520

IUPAC4-ethyl-3-[[1-[2-[(2R)-2-ethylpiperidin-1-yl]acetyl]piperidin-4-yl]methyl]-1H-1,2,4-triazol-5-one
SMILESCC[C@@H]1CCCCN1CC(=O)N1CCC(Cc2n[nH]c(=O)n2CC)CC1
InChIInChI=1S/C19H33N5O2/c1-3-16-7-5-6-10-23(16)14-18(25)22-11-8-15(9-12-22)13-17-20-21-19(26)24(17)4-2/h15-16H,3-14H2,1-2H3,(H,21,26)/t16-/m1/s1
InChIKeyJWUMJLWDASTCRE-MRXNPFEDSA-N
MW363.51 g/mol
LogP1.64
Rot. Bonds6

About 4-ethyl-3-[[1-[2-[(2R)-2-ethylpiperidin-1-yl]acetyl]piperidin-4-yl]methyl]-1H-1,2,4-triazol-5-one

4-ethyl-3-[[1-[2-[(2R)-2-ethylpiperidin-1-yl]acetyl]piperidin-4-yl]methyl]-1H-1,2,4-triazol-5-one (PubChem CID 95123520) has the molecular formula C19H33N5O2 and a molecular weight of 363.51 g/mol. Its IUPAC name is 4-ethyl-3-[[1-[2-[(2R)-2-ethylpiperidin-1-yl]acetyl]piperidin-4-yl]methyl]-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name4-ethyl-3-[[1-[2-[(2R)-2-ethylpiperidin-1-yl]acetyl]piperidin-4-yl]methyl]-1H-1,2,4-triazol-5-one
PubChem CID95123520
Molecular FormulaC19H33N5O2
Molecular Weight363.51 g/mol
Exact Mass363.26
IUPAC Name4-ethyl-3-[[1-[2-[(2R)-2-ethylpiperidin-1-yl]acetyl]piperidin-4-yl]methyl]-1H-1,2,4-triazol-5-one
SMILESCC[C@@H]1CCCCN1CC(=O)N1CCC(Cc2n[nH]c(=O)n2CC)CC1
InChIInChI=1S/C19H33N5O2/c1-3-16-7-5-6-10-23(16)14-18(25)22-11-8-15(9-12-22)13-17-20-21-19(26)24(17)4-2/h15-16H,3-14H2,1-2H3,(H,21,26)/t16-/m1/s1
InChIKeyJWUMJLWDASTCRE-MRXNPFEDSA-N
XLogP1.64
TPSA74.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-ethyl-3-[[1-[2-[(2R)-2-ethylpiperidin-1-yl]acetyl]piperidin-4-yl]methyl]-1H-1,2,4-triazol-5-one with MolForge

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Launch Full Analysis

Related Compounds

5-{1-[2-(1-azepanyl)acetyl]-4-piperidyl}-4-isopropyl-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 91920112
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
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
5-{1-[(1S*,4R*)-2-azabicyclo[2.2.1]hept-2-ylacetyl]piperidin-4-yl}-4-ethyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 56706752
2-(4-(4-cyclopropyl-1-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)piperidin-1-yl)-N,N-diisopropylacetamide
CID 90542934
4-cyclopropyl-1-methyl-3-(1-(2-(4-methylpiperidin-1-yl)-2-oxoethyl)piperidin-4-yl)-1H-1,2,4-triazol-5(4H)-one
CID 90542980
4-cyclopropyl-1-methyl-3-(1-(1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl)piperidin-4-yl)-1H-1,2,4-triazol-5(4H)-one
CID 90542984
4-ethyl-3-[[1-[2-[(2S)-2-ethylpiperidin-1-yl]acetyl]piperidin-4-yl]methyl]-1H-1,2,4-triazol-5-one
CID 95123521
(3S)-4-ethyl-3-[2-[4-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-2-oxoethyl]piperazin-2-one
CID 95125960
(3R)-4-ethyl-3-[2-[4-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-2-oxoethyl]piperazin-2-one
CID 95125961
2-(4-(4-cyclopentyl-1-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)piperidin-1-yl)-N,N-diethylacetamide
CID 121118001
2-(4-(4-cyclopentyl-1-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)piperidin-1-yl)-N,N-diisopropylacetamide
CID 121118006

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-[[1-[2-[(2R)-2-ethylpiperidin-1-yl]acetyl]piperidin-4-yl]methyl]-1H-1,2,4-triazol-5-one?
The IUPAC name of 4-ethyl-3-[[1-[2-[(2R)-2-ethylpiperidin-1-yl]acetyl]piperidin-4-yl]methyl]-1H-1,2,4-triazol-5-one (CID 95123520) is 4-ethyl-3-[[1-[2-[(2R)-2-ethylpiperidin-1-yl]acetyl]piperidin-4-yl]methyl]-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 4-ethyl-3-[[1-[2-[(2R)-2-ethylpiperidin-1-yl]acetyl]piperidin-4-yl]methyl]-1H-1,2,4-triazol-5-one?
The canonical SMILES for 4-ethyl-3-[[1-[2-[(2R)-2-ethylpiperidin-1-yl]acetyl]piperidin-4-yl]methyl]-1H-1,2,4-triazol-5-one is CC[C@@H]1CCCCN1CC(=O)N1CCC(Cc2n[nH]c(=O)n2CC)CC1.
What is the InChIKey of 4-ethyl-3-[[1-[2-[(2R)-2-ethylpiperidin-1-yl]acetyl]piperidin-4-yl]methyl]-1H-1,2,4-triazol-5-one?
The InChIKey is JWUMJLWDASTCRE-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H33N5O2/c1-3-16-7-5-6-10-23(16)14-18(25)22-11-8-15(9-12-22)13-17-20-21-19(26)24(17)4-2/h15-16H,3-14H2,1-2H3,(H,21,26)/t16-/m1/s1.
What are the key properties of 4-ethyl-3-[[1-[2-[(2R)-2-ethylpiperidin-1-yl]acetyl]piperidin-4-yl]methyl]-1H-1,2,4-triazol-5-one?
4-ethyl-3-[[1-[2-[(2R)-2-ethylpiperidin-1-yl]acetyl]piperidin-4-yl]methyl]-1H-1,2,4-triazol-5-one has a molecular weight of 363.51 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-[[1-[2-[(2R)-2-ethylpiperidin-1-yl]acetyl]piperidin-4-yl]methyl]-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 95123520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).