2-[2-(dimethylamino)ethyl]-4-ethyl-5-[1-(piperidine-4-carbonyl)piperidin-3-yl]-1,2,4-triazol-3-one

C19H34N6O2 — CID 56710790

IUPAC2-[2-(dimethylamino)ethyl]-4-ethyl-5-[1-(piperidine-4-carbonyl)piperidin-3-yl]-1,2,4-triazol-3-one
SMILESCCn1c(C2CCCN(C(=O)C3CCNCC3)C2)nn(CCN(C)C)c1=O
InChIInChI=1S/C19H34N6O2/c1-4-24-17(21-25(19(24)27)13-12-22(2)3)16-6-5-11-23(14-16)18(26)15-7-9-20-10-8-15/h15-16,20H,4-14H2,1-3H3
InChIKeyPUGONMQVCILXHV-UHFFFAOYSA-N
MW378.52 g/mol
LogP0.33
Rot. Bonds6

About 2-[2-(dimethylamino)ethyl]-4-ethyl-5-[1-(piperidine-4-carbonyl)piperidin-3-yl]-1,2,4-triazol-3-one

2-[2-(dimethylamino)ethyl]-4-ethyl-5-[1-(piperidine-4-carbonyl)piperidin-3-yl]-1,2,4-triazol-3-one (PubChem CID 56710790) has the molecular formula C19H34N6O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]-4-ethyl-5-[1-(piperidine-4-carbonyl)piperidin-3-yl]-1,2,4-triazol-3-one.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]-4-ethyl-5-[1-(piperidine-4-carbonyl)piperidin-3-yl]-1,2,4-triazol-3-one
PubChem CID56710790
Molecular FormulaC19H34N6O2
Molecular Weight378.52 g/mol
Exact Mass378.27
IUPAC Name2-[2-(dimethylamino)ethyl]-4-ethyl-5-[1-(piperidine-4-carbonyl)piperidin-3-yl]-1,2,4-triazol-3-one
SMILESCCn1c(C2CCCN(C(=O)C3CCNCC3)C2)nn(CCN(C)C)c1=O
InChIInChI=1S/C19H34N6O2/c1-4-24-17(21-25(19(24)27)13-12-22(2)3)16-6-5-11-23(14-16)18(26)15-7-9-20-10-8-15/h15-16,20H,4-14H2,1-3H3
InChIKeyPUGONMQVCILXHV-UHFFFAOYSA-N
XLogP0.33
TPSA75.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[2-(dimethylamino)ethyl]-4-ethyl-5-[1-(piperidine-4-carbonyl)piperidin-3-yl]-1,2,4-triazol-3-one with MolForge

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Related Compounds

2-[3-[4-(2-Methylpropanoyl)piperazin-1-yl]propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 134803241
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
4-ethyl-3-{2-[4-(4-ethyl-1-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl}piperazin-2-one
CID 56706067
1-(2,2-dimethylpropanoyl)-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]piperidine-3-carboxamide
CID 48003184
3-N-ethyl-1-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]piperidine-1,3-dicarboxamide
CID 48958130
4-ethyl-2-[2-(2-oxo-1-pyrrolidinyl)ethyl]-5-(4-piperidinyl)-2,4-dihydro-3H-1,2,4-triazol-3-one dihydrochloride
CID 50958883
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
3-[4-ethyl-5-oxo-3-(piperidin-4-ylmethyl)-4,5-dihydro-1H-1,2,4-triazol-1-yl]-N-methylpropanamide
CID 50967863
(3S)-3-methyl-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]piperidine-1-carboxamide
CID 52252281
4-methyl-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]piperidine-1-carboxamide
CID 52252290
1-[3-(4-Methylpiperidin-1-yl)propyl]-3-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]urea
CID 55794069
1-[3-(3,5-Dimethylpiperidin-1-yl)propyl]-3-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]urea
CID 55802874

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl]-4-ethyl-5-[1-(piperidine-4-carbonyl)piperidin-3-yl]-1,2,4-triazol-3-one?
The IUPAC name of 2-[2-(dimethylamino)ethyl]-4-ethyl-5-[1-(piperidine-4-carbonyl)piperidin-3-yl]-1,2,4-triazol-3-one (CID 56710790) is 2-[2-(dimethylamino)ethyl]-4-ethyl-5-[1-(piperidine-4-carbonyl)piperidin-3-yl]-1,2,4-triazol-3-one.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]-4-ethyl-5-[1-(piperidine-4-carbonyl)piperidin-3-yl]-1,2,4-triazol-3-one?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]-4-ethyl-5-[1-(piperidine-4-carbonyl)piperidin-3-yl]-1,2,4-triazol-3-one is CCn1c(C2CCCN(C(=O)C3CCNCC3)C2)nn(CCN(C)C)c1=O.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]-4-ethyl-5-[1-(piperidine-4-carbonyl)piperidin-3-yl]-1,2,4-triazol-3-one?
The InChIKey is PUGONMQVCILXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N6O2/c1-4-24-17(21-25(19(24)27)13-12-22(2)3)16-6-5-11-23(14-16)18(26)15-7-9-20-10-8-15/h15-16,20H,4-14H2,1-3H3.
What are the key properties of 2-[2-(dimethylamino)ethyl]-4-ethyl-5-[1-(piperidine-4-carbonyl)piperidin-3-yl]-1,2,4-triazol-3-one?
2-[2-(dimethylamino)ethyl]-4-ethyl-5-[1-(piperidine-4-carbonyl)piperidin-3-yl]-1,2,4-triazol-3-one has a molecular weight of 378.52 g/mol, XLogP of 0.33, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]-4-ethyl-5-[1-(piperidine-4-carbonyl)piperidin-3-yl]-1,2,4-triazol-3-one is sourced from PubChem (CID 56710790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).