4-imidazol-1-yl-1-[4-(4-methoxybenzoyl)piperazin-1-yl]butan-1-one

C19H24N4O3 — CID 70721511

IUPAC4-imidazol-1-yl-1-[4-(4-methoxybenzoyl)piperazin-1-yl]butan-1-one
SMILESCOc1ccc(C(=O)N2CCN(C(=O)CCCn3ccnc3)CC2)cc1
InChIInChI=1S/C19H24N4O3/c1-26-17-6-4-16(5-7-17)19(25)23-13-11-22(12-14-23)18(24)3-2-9-21-10-8-20-15-21/h4-8,10,15H,2-3,9,11-14H2,1H3
InChIKeyXRDMQSWJMFJIJA-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.66
Rot. Bonds6

About 4-imidazol-1-yl-1-[4-(4-methoxybenzoyl)piperazin-1-yl]butan-1-one

4-imidazol-1-yl-1-[4-(4-methoxybenzoyl)piperazin-1-yl]butan-1-one (PubChem CID 70721511) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 4-imidazol-1-yl-1-[4-(4-methoxybenzoyl)piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name4-imidazol-1-yl-1-[4-(4-methoxybenzoyl)piperazin-1-yl]butan-1-one
PubChem CID70721511
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name4-imidazol-1-yl-1-[4-(4-methoxybenzoyl)piperazin-1-yl]butan-1-one
SMILESCOc1ccc(C(=O)N2CCN(C(=O)CCCn3ccnc3)CC2)cc1
InChIInChI=1S/C19H24N4O3/c1-26-17-6-4-16(5-7-17)19(25)23-13-11-22(12-14-23)18(24)3-2-9-21-10-8-20-15-21/h4-8,10,15H,2-3,9,11-14H2,1H3
InChIKeyXRDMQSWJMFJIJA-UHFFFAOYSA-N
XLogP1.66
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-imidazol-1-yl-1-[4-(3-methoxybenzoyl)piperazin-1-yl]propan-1-one
CID 70787388
4-imidazol-1-yl-1-[3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]butan-1-one
CID 110098335
4-imidazol-1-yl-1-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]butan-1-one
CID 124953102
6,7-dimethoxy-3-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]-4-oxobutyl]quinazolin-4-one
CID 55573970
N-(3-imidazol-1-ylpropyl)-4-methoxybenzamide;hydrochloride
CID 6603491
3-(dimethylamino)-1-[4-(4-methoxybenzoyl)piperazin-1-yl]propan-1-one
CID 110603348
2-[4-[4-(4-methoxybenzoyl)-1,4-diazepan-1-yl]-4-oxobutyl]isoindole-1,3-dione
CID 108543881
[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 90533226
1-[4-(4-methoxybenzoyl)-1,4-diazepan-1-yl]-4-(4-methylphenoxy)butan-1-one
CID 108543863
1-[3-(imidazol-1-ylmethyl)piperidin-1-yl]-4-(4-methoxyphenyl)butane-1,4-dione
CID 91779161
7-imidazol-1-yl-1-morpholin-4-ylheptan-1-one
CID 54259833
[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-1-[4-(4-methoxybenzoyl)piperazin-1-yl]butan-1-one?
The IUPAC name of 4-imidazol-1-yl-1-[4-(4-methoxybenzoyl)piperazin-1-yl]butan-1-one (CID 70721511) is 4-imidazol-1-yl-1-[4-(4-methoxybenzoyl)piperazin-1-yl]butan-1-one.
What is the SMILES notation for 4-imidazol-1-yl-1-[4-(4-methoxybenzoyl)piperazin-1-yl]butan-1-one?
The canonical SMILES for 4-imidazol-1-yl-1-[4-(4-methoxybenzoyl)piperazin-1-yl]butan-1-one is COc1ccc(C(=O)N2CCN(C(=O)CCCn3ccnc3)CC2)cc1.
What is the InChIKey of 4-imidazol-1-yl-1-[4-(4-methoxybenzoyl)piperazin-1-yl]butan-1-one?
The InChIKey is XRDMQSWJMFJIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-26-17-6-4-16(5-7-17)19(25)23-13-11-22(12-14-23)18(24)3-2-9-21-10-8-20-15-21/h4-8,10,15H,2-3,9,11-14H2,1H3.
What are the key properties of 4-imidazol-1-yl-1-[4-(4-methoxybenzoyl)piperazin-1-yl]butan-1-one?
4-imidazol-1-yl-1-[4-(4-methoxybenzoyl)piperazin-1-yl]butan-1-one has a molecular weight of 356.43 g/mol, XLogP of 1.66, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-1-[4-(4-methoxybenzoyl)piperazin-1-yl]butan-1-one is sourced from PubChem (CID 70721511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).