4-(3-methoxyphenyl)-2-methyl-3-oxo-N-[3-(triazol-1-yl)propyl]piperazine-1-carboxamide

C18H24N6O3 — CID 121499817

IUPAC4-(3-methoxyphenyl)-2-methyl-3-oxo-N-[3-(triazol-1-yl)propyl]piperazine-1-carboxamide
SMILESCOc1cccc(N2CCN(C(=O)NCCCn3ccnn3)C(C)C2=O)c1
InChIInChI=1S/C18H24N6O3/c1-14-17(25)24(15-5-3-6-16(13-15)27-2)12-11-23(14)18(26)19-7-4-9-22-10-8-20-21-22/h3,5-6,8,10,13-14H,4,7,9,11-12H2,1-2H3,(H,19,26)
InChIKeyAJPDQKVRZUMWEZ-UHFFFAOYSA-N
MW372.43 g/mol
LogP1.12
Rot. Bonds6

About 4-(3-methoxyphenyl)-2-methyl-3-oxo-N-[3-(triazol-1-yl)propyl]piperazine-1-carboxamide

4-(3-methoxyphenyl)-2-methyl-3-oxo-N-[3-(triazol-1-yl)propyl]piperazine-1-carboxamide (PubChem CID 121499817) has the molecular formula C18H24N6O3 and a molecular weight of 372.43 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-2-methyl-3-oxo-N-[3-(triazol-1-yl)propyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-2-methyl-3-oxo-N-[3-(triazol-1-yl)propyl]piperazine-1-carboxamide
PubChem CID121499817
Molecular FormulaC18H24N6O3
Molecular Weight372.43 g/mol
Exact Mass372.19
IUPAC Name4-(3-methoxyphenyl)-2-methyl-3-oxo-N-[3-(triazol-1-yl)propyl]piperazine-1-carboxamide
SMILESCOc1cccc(N2CCN(C(=O)NCCCn3ccnn3)C(C)C2=O)c1
InChIInChI=1S/C18H24N6O3/c1-14-17(25)24(15-5-3-6-16(13-15)27-2)12-11-23(14)18(26)19-7-4-9-22-10-8-20-21-22/h3,5-6,8,10,13-14H,4,7,9,11-12H2,1-2H3,(H,19,26)
InChIKeyAJPDQKVRZUMWEZ-UHFFFAOYSA-N
XLogP1.12
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-[3-(furan-2-yl)propyl]-4-(3-methoxyphenyl)-2-methyl-3-oxopiperazine-1-carboxamide
CID 125434982
N-(1-ethyl-1,2,4-triazol-3-yl)-4-(3-methoxyphenyl)-2-methyl-3-oxopiperazine-1-carboxamide
CID 46990759
1-(3-methoxybenzoyl)-N-[3-(triazol-1-yl)propyl]piperidine-4-carboxamide
CID 135109599
(2S)-N-(2,3-dihydro-1H-inden-2-yl)-4-(3-methoxyphenyl)-2-methyl-3-oxopiperazine-1-carboxamide
CID 126441036
4-(2,2-dimethylpropanoyl)-1-(3-methoxyphenyl)-3-methylpiperazin-2-one
CID 24715973
1-(3-methoxyphenyl)-3-methyl-4-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperazin-2-one
CID 131913529
(3R)-4-(2-methoxybenzoyl)-1-(3-methoxyphenyl)-3-methylpiperazin-2-one
CID 93322353
4-(4-chlorobenzoyl)-1-(3-methoxyphenyl)-3-methylpiperazin-2-one
CID 46036252
1-(3-methoxyphenyl)-3-methyl-4-(3-methylbenzoyl)piperazin-2-one
CID 24715974
(3R)-1-(3-methoxyphenyl)-3-methyl-4-[2-(4-methyl-1,4-diazepan-1-yl)acetyl]piperazin-2-one
CID 95130698
1-(3-methoxyphenyl)-3-methyl-4-(5-propyl-1H-pyrazole-3-carbonyl)piperazin-2-one
CID 46995780
1-(3-methoxyphenyl)-3-methyl-4-(3-methylimidazo[4,5-b]pyridine-6-carbonyl)piperazin-2-one
CID 176506109

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-2-methyl-3-oxo-N-[3-(triazol-1-yl)propyl]piperazine-1-carboxamide?
The IUPAC name of 4-(3-methoxyphenyl)-2-methyl-3-oxo-N-[3-(triazol-1-yl)propyl]piperazine-1-carboxamide (CID 121499817) is 4-(3-methoxyphenyl)-2-methyl-3-oxo-N-[3-(triazol-1-yl)propyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-methoxyphenyl)-2-methyl-3-oxo-N-[3-(triazol-1-yl)propyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(3-methoxyphenyl)-2-methyl-3-oxo-N-[3-(triazol-1-yl)propyl]piperazine-1-carboxamide is COc1cccc(N2CCN(C(=O)NCCCn3ccnn3)C(C)C2=O)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-2-methyl-3-oxo-N-[3-(triazol-1-yl)propyl]piperazine-1-carboxamide?
The InChIKey is AJPDQKVRZUMWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O3/c1-14-17(25)24(15-5-3-6-16(13-15)27-2)12-11-23(14)18(26)19-7-4-9-22-10-8-20-21-22/h3,5-6,8,10,13-14H,4,7,9,11-12H2,1-2H3,(H,19,26).
What are the key properties of 4-(3-methoxyphenyl)-2-methyl-3-oxo-N-[3-(triazol-1-yl)propyl]piperazine-1-carboxamide?
4-(3-methoxyphenyl)-2-methyl-3-oxo-N-[3-(triazol-1-yl)propyl]piperazine-1-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-2-methyl-3-oxo-N-[3-(triazol-1-yl)propyl]piperazine-1-carboxamide is sourced from PubChem (CID 121499817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).