4-phenyl-3-[(3R)-1-[(1-propan-2-ylimidazol-2-yl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-5-one

C20H26N6O — CID 95201374

IUPAC4-phenyl-3-[(3R)-1-[(1-propan-2-ylimidazol-2-yl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-5-one
SMILESCC(C)n1ccnc1CN1CCC[C@@H](c2n[nH]c(=O)n2-c2ccccc2)C1
InChIInChI=1S/C20H26N6O/c1-15(2)25-12-10-21-18(25)14-24-11-6-7-16(13-24)19-22-23-20(27)26(19)17-8-4-3-5-9-17/h3-5,8-10,12,15-16H,6-7,11,13-14H2,1-2H3,(H,23,27)/t16-/m1/s1
InChIKeyHMMRQOKSGAJRKJ-MRXNPFEDSA-N
MW366.47 g/mol
LogP2.72
Rot. Bonds5

About 4-phenyl-3-[(3R)-1-[(1-propan-2-ylimidazol-2-yl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-5-one

4-phenyl-3-[(3R)-1-[(1-propan-2-ylimidazol-2-yl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-5-one (PubChem CID 95201374) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is 4-phenyl-3-[(3R)-1-[(1-propan-2-ylimidazol-2-yl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name4-phenyl-3-[(3R)-1-[(1-propan-2-ylimidazol-2-yl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-5-one
PubChem CID95201374
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC Name4-phenyl-3-[(3R)-1-[(1-propan-2-ylimidazol-2-yl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-5-one
SMILESCC(C)n1ccnc1CN1CCC[C@@H](c2n[nH]c(=O)n2-c2ccccc2)C1
InChIInChI=1S/C20H26N6O/c1-15(2)25-12-10-21-18(25)14-24-11-6-7-16(13-24)19-22-23-20(27)26(19)17-8-4-3-5-9-17/h3-5,8-10,12,15-16H,6-7,11,13-14H2,1-2H3,(H,23,27)/t16-/m1/s1
InChIKeyHMMRQOKSGAJRKJ-MRXNPFEDSA-N
XLogP2.72
TPSA71.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

4-phenyl-3-[(3R)-1-(1-propan-2-ylpiperidin-4-yl)piperidin-3-yl]-1H-1,2,4-triazol-5-one
CID 95200004
3-[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]-4-phenyl-1H-1,2,4-triazol-5-one
CID 95555320
3-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-4-phenyl-1H-1,2,4-triazol-5-one
CID 56875612
2-[3-(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-3-carbonitrile
CID 56869965
6-[3-(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-2-carbonitrile
CID 56881307
3-[1-(2-hydroxy-5-methylbenzoyl)piperidin-3-yl]-4-phenyl-1H-1,2,4-triazol-5-one
CID 56719208
3-[(3R)-1-(2-hydroxy-5-methylbenzoyl)piperidin-3-yl]-4-phenyl-1H-1,2,4-triazol-5-one
CID 95222667
4-[[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 97188791
4-[[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methyl]benzamide
CID 97198380
6-methyl-2-[3-(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-3-carbonitrile
CID 56709772
4-ethyl-3-[(3R)-1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-yl]-1H-1,2,4-triazol-5-one
CID 95207263
[(3S)-1-[(1-propan-2-ylimidazol-2-yl)methyl]piperidin-3-yl]-thiophen-2-ylmethanone
CID 95215186

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-3-[(3R)-1-[(1-propan-2-ylimidazol-2-yl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-5-one?
The IUPAC name of 4-phenyl-3-[(3R)-1-[(1-propan-2-ylimidazol-2-yl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-5-one (CID 95201374) is 4-phenyl-3-[(3R)-1-[(1-propan-2-ylimidazol-2-yl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 4-phenyl-3-[(3R)-1-[(1-propan-2-ylimidazol-2-yl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-5-one?
The canonical SMILES for 4-phenyl-3-[(3R)-1-[(1-propan-2-ylimidazol-2-yl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-5-one is CC(C)n1ccnc1CN1CCC[C@@H](c2n[nH]c(=O)n2-c2ccccc2)C1.
What is the InChIKey of 4-phenyl-3-[(3R)-1-[(1-propan-2-ylimidazol-2-yl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-5-one?
The InChIKey is HMMRQOKSGAJRKJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H26N6O/c1-15(2)25-12-10-21-18(25)14-24-11-6-7-16(13-24)19-22-23-20(27)26(19)17-8-4-3-5-9-17/h3-5,8-10,12,15-16H,6-7,11,13-14H2,1-2H3,(H,23,27)/t16-/m1/s1.
What are the key properties of 4-phenyl-3-[(3R)-1-[(1-propan-2-ylimidazol-2-yl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-5-one?
4-phenyl-3-[(3R)-1-[(1-propan-2-ylimidazol-2-yl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-5-one has a molecular weight of 366.47 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-3-[(3R)-1-[(1-propan-2-ylimidazol-2-yl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 95201374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).