4-[1-(imidazol-1-ylmethyl)cyclopropanecarbonyl]-1-(3-methoxyphenyl)piperazin-2-one

C19H22N4O3 — CID 91836779

IUPAC4-[1-(imidazol-1-ylmethyl)cyclopropanecarbonyl]-1-(3-methoxyphenyl)piperazin-2-one
SMILESCOc1cccc(N2CCN(C(=O)C3(Cn4ccnc4)CC3)CC2=O)c1
InChIInChI=1S/C19H22N4O3/c1-26-16-4-2-3-15(11-16)23-10-9-22(12-17(23)24)18(25)19(5-6-19)13-21-8-7-20-14-21/h2-4,7-8,11,14H,5-6,9-10,12-13H2,1H3
InChIKeyNCELVQAMFVMIIE-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.55
Rot. Bonds5

About 4-[1-(imidazol-1-ylmethyl)cyclopropanecarbonyl]-1-(3-methoxyphenyl)piperazin-2-one

4-[1-(imidazol-1-ylmethyl)cyclopropanecarbonyl]-1-(3-methoxyphenyl)piperazin-2-one (PubChem CID 91836779) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 4-[1-(imidazol-1-ylmethyl)cyclopropanecarbonyl]-1-(3-methoxyphenyl)piperazin-2-one.

Molecular Properties

Compound Name4-[1-(imidazol-1-ylmethyl)cyclopropanecarbonyl]-1-(3-methoxyphenyl)piperazin-2-one
PubChem CID91836779
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name4-[1-(imidazol-1-ylmethyl)cyclopropanecarbonyl]-1-(3-methoxyphenyl)piperazin-2-one
SMILESCOc1cccc(N2CCN(C(=O)C3(Cn4ccnc4)CC3)CC2=O)c1
InChIInChI=1S/C19H22N4O3/c1-26-16-4-2-3-15(11-16)23-10-9-22(12-17(23)24)18(25)19(5-6-19)13-21-8-7-20-14-21/h2-4,7-8,11,14H,5-6,9-10,12-13H2,1H3
InChIKeyNCELVQAMFVMIIE-UHFFFAOYSA-N
XLogP1.55
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[1-(imidazol-1-ylmethyl)cyclopropanecarbonyl]-1-(3-methoxyphenyl)piperazin-2-one with MolForge

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Related Compounds

1-(3-methoxyphenyl)-4-(4-pyrazol-1-ylbutanoyl)piperazin-2-one
CID 118765217
1-(4-methylphenyl)-4-[1-(pyrazol-1-ylmethyl)cyclopropanecarbonyl]piperazin-2-one
CID 70739627
4-[2-(3-methoxyphenyl)acetyl]-1-phenylpiperazin-2-one
CID 110708431
4-[2-(3-methoxy-2-oxo-1-pyridinyl)acetyl]-1-(3-methoxyphenyl)piperazin-2-one
CID 72901150
1-(3-methoxyphenyl)-4-[(2R)-2-phenoxypropanoyl]piperazin-2-one
CID 96571058
4-(6-aminopyridine-3-carbonyl)-1-(3-methoxyphenyl)piperazin-2-one
CID 70717844
1-(3-methoxyphenyl)-4-[(3R)-3-phenylbutanoyl]piperazin-2-one
CID 96577420
4-[4-(3-methoxyphenyl)-3-oxopiperazine-1-carbonyl]benzonitrile
CID 70735758
3-imidazol-1-yl-1-[4-(3-methoxybenzoyl)piperazin-1-yl]propan-1-one
CID 70787388
1-(3-methoxyphenyl)-4-(5-methyl-1-propylpyrazole-4-carbonyl)piperazin-2-one
CID 70788872
4-[(3R)-2,8-diazaspiro[4.5]decane-3-carbonyl]-1-(3-methoxyphenyl)piperazin-2-one
CID 95722186
4-[2-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]acetyl]-1-(3-methoxyphenyl)piperazin-2-one
CID 96579896

Frequently Asked Questions

What is the IUPAC name of 4-[1-(imidazol-1-ylmethyl)cyclopropanecarbonyl]-1-(3-methoxyphenyl)piperazin-2-one?
The IUPAC name of 4-[1-(imidazol-1-ylmethyl)cyclopropanecarbonyl]-1-(3-methoxyphenyl)piperazin-2-one (CID 91836779) is 4-[1-(imidazol-1-ylmethyl)cyclopropanecarbonyl]-1-(3-methoxyphenyl)piperazin-2-one.
What is the SMILES notation for 4-[1-(imidazol-1-ylmethyl)cyclopropanecarbonyl]-1-(3-methoxyphenyl)piperazin-2-one?
The canonical SMILES for 4-[1-(imidazol-1-ylmethyl)cyclopropanecarbonyl]-1-(3-methoxyphenyl)piperazin-2-one is COc1cccc(N2CCN(C(=O)C3(Cn4ccnc4)CC3)CC2=O)c1.
What is the InChIKey of 4-[1-(imidazol-1-ylmethyl)cyclopropanecarbonyl]-1-(3-methoxyphenyl)piperazin-2-one?
The InChIKey is NCELVQAMFVMIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-26-16-4-2-3-15(11-16)23-10-9-22(12-17(23)24)18(25)19(5-6-19)13-21-8-7-20-14-21/h2-4,7-8,11,14H,5-6,9-10,12-13H2,1H3.
What are the key properties of 4-[1-(imidazol-1-ylmethyl)cyclopropanecarbonyl]-1-(3-methoxyphenyl)piperazin-2-one?
4-[1-(imidazol-1-ylmethyl)cyclopropanecarbonyl]-1-(3-methoxyphenyl)piperazin-2-one has a molecular weight of 354.41 g/mol, XLogP of 1.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(imidazol-1-ylmethyl)cyclopropanecarbonyl]-1-(3-methoxyphenyl)piperazin-2-one is sourced from PubChem (CID 91836779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).