4-ethyl-5-[1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one

C19H35N5O2 — CID 56749503

IUPAC4-ethyl-5-[1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one
SMILESCCn1c(C2CCN(CC3CCN(CCOC)CC3)CC2)nn(C)c1=O
InChIInChI=1S/C19H35N5O2/c1-4-24-18(20-21(2)19(24)25)17-7-11-23(12-8-17)15-16-5-9-22(10-6-16)13-14-26-3/h16-17H,4-15H2,1-3H3
InChIKeyDQVZRYNSSHAFTI-UHFFFAOYSA-N
MW365.52 g/mol
LogP1.14
Rot. Bonds7

About 4-ethyl-5-[1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one

4-ethyl-5-[1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one (PubChem CID 56749503) has the molecular formula C19H35N5O2 and a molecular weight of 365.52 g/mol. Its IUPAC name is 4-ethyl-5-[1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-ethyl-5-[1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one
PubChem CID56749503
Molecular FormulaC19H35N5O2
Molecular Weight365.52 g/mol
Exact Mass365.28
IUPAC Name4-ethyl-5-[1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one
SMILESCCn1c(C2CCN(CC3CCN(CCOC)CC3)CC2)nn(C)c1=O
InChIInChI=1S/C19H35N5O2/c1-4-24-18(20-21(2)19(24)25)17-7-11-23(12-8-17)15-16-5-9-22(10-6-16)13-14-26-3/h16-17H,4-15H2,1-3H3
InChIKeyDQVZRYNSSHAFTI-UHFFFAOYSA-N
XLogP1.14
TPSA55.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

5-[1-(2,2-dimethyl-3-morpholin-4-ylpropyl)piperidin-3-yl]-4-ethyl-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 56701983
2,2-dimethylpropyl 4-[(4-ethyl-1-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxylate
CID 50972844
4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]-N,N-dimethylpiperidine-1-sulfonamide
CID 72717203
4-ethyl-5-({1-[(1-ethylpiperidin-3-yl)methyl]piperidin-4-yl}methyl)-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 50957520
4-ethyl-2-methyl-5-[1-(4-morpholin-4-ylbutanoyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 56702812
4-ethyl-2-methyl-5-[1-(2-methyl-2-morpholin-4-ylpropyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 56754783
4-cyclopropyl-1-methyl-3-(1-(2-morpholino-2-oxoethyl)piperidin-4-yl)-1H-1,2,4-triazol-5(4H)-one
CID 76146557
4-cyclopropyl-3-(1-(2-ethoxyethyl)piperidin-4-yl)-1-methyl-1H-1,2,4-triazol-5(4H)-one
CID 90542920
4-cyclopropyl-3-(1-(2-methoxyethyl)piperidin-4-yl)-1-methyl-1H-1,2,4-triazol-5(4H)-one
CID 90542925
4-ethyl-5-[[1-[[(3R)-1-ethylpiperidin-3-yl]methyl]piperidin-4-yl]methyl]-2-methyl-1,2,4-triazol-3-one
CID 95124062
4-ethyl-5-[[1-[[(3S)-1-ethylpiperidin-3-yl]methyl]piperidin-4-yl]methyl]-2-methyl-1,2,4-triazol-3-one
CID 95124063
3-(1-acetylpiperidin-4-yl)-4-ethyl-1-(2-methoxyethyl)-1H-1,2,4-triazol-5(4H)-one
CID 121115118

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-[1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one?
The IUPAC name of 4-ethyl-5-[1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one (CID 56749503) is 4-ethyl-5-[1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one.
What is the SMILES notation for 4-ethyl-5-[1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one?
The canonical SMILES for 4-ethyl-5-[1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one is CCn1c(C2CCN(CC3CCN(CCOC)CC3)CC2)nn(C)c1=O.
What is the InChIKey of 4-ethyl-5-[1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one?
The InChIKey is DQVZRYNSSHAFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N5O2/c1-4-24-18(20-21(2)19(24)25)17-7-11-23(12-8-17)15-16-5-9-22(10-6-16)13-14-26-3/h16-17H,4-15H2,1-3H3.
What are the key properties of 4-ethyl-5-[1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one?
4-ethyl-5-[1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one has a molecular weight of 365.52 g/mol, XLogP of 1.14, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-[1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one is sourced from PubChem (CID 56749503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).