4-(5-chloro-2-methoxy-4-methylbenzoyl)-N-propan-2-ylpiperazine-1-carboxamide

C17H24ClN3O3 — CID 110812493

IUPAC4-(5-chloro-2-methoxy-4-methylbenzoyl)-N-propan-2-ylpiperazine-1-carboxamide
SMILESCOc1cc(C)c(Cl)cc1C(=O)N1CCN(C(=O)NC(C)C)CC1
InChIInChI=1S/C17H24ClN3O3/c1-11(2)19-17(23)21-7-5-20(6-8-21)16(22)13-10-14(18)12(3)9-15(13)24-4/h9-11H,5-8H2,1-4H3,(H,19,23)
InChIKeyBFWOGDMQZOJRKL-UHFFFAOYSA-N
MW353.85 g/mol
LogP2.53
Rot. Bonds3

About 4-(5-chloro-2-methoxy-4-methylbenzoyl)-N-propan-2-ylpiperazine-1-carboxamide

4-(5-chloro-2-methoxy-4-methylbenzoyl)-N-propan-2-ylpiperazine-1-carboxamide (PubChem CID 110812493) has the molecular formula C17H24ClN3O3 and a molecular weight of 353.85 g/mol. Its IUPAC name is 4-(5-chloro-2-methoxy-4-methylbenzoyl)-N-propan-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(5-chloro-2-methoxy-4-methylbenzoyl)-N-propan-2-ylpiperazine-1-carboxamide
PubChem CID110812493
Molecular FormulaC17H24ClN3O3
Molecular Weight353.85 g/mol
Exact Mass353.15
IUPAC Name4-(5-chloro-2-methoxy-4-methylbenzoyl)-N-propan-2-ylpiperazine-1-carboxamide
SMILESCOc1cc(C)c(Cl)cc1C(=O)N1CCN(C(=O)NC(C)C)CC1
InChIInChI=1S/C17H24ClN3O3/c1-11(2)19-17(23)21-7-5-20(6-8-21)16(22)13-10-14(18)12(3)9-15(13)24-4/h9-11H,5-8H2,1-4H3,(H,19,23)
InChIKeyBFWOGDMQZOJRKL-UHFFFAOYSA-N
XLogP2.53
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chloro-2-methoxy-4-methylphenyl)-piperidin-1-ylmethanone
CID 110762027
1-[4-(5-chloro-2-methoxy-4-methylbenzoyl)-1,4-diazepan-1-yl]-3-methylbutan-1-one
CID 110806881
1-[4-(5-chloro-2-methoxy-4-methylbenzoyl)piperazin-1-yl]-2-ethylbutan-1-one
CID 110801762
1-[4-(5-chloro-2-methoxy-4-methylbenzoyl)-1,4-diazepan-1-yl]butan-1-one
CID 110806015
4-(5-tert-butyl-2-methoxybenzoyl)-N-propan-2-ylpiperazine-1-carboxamide
CID 110812357
4-[2-(2-methoxy-4,5-dimethylphenyl)acetyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 110812984
4-(5-chloro-4-methoxy-2-methylbenzoyl)-N-propyl-1,4-diazepane-1-carboxamide
CID 110813528
4-(2,4-dichlorobenzoyl)-N-propan-2-yl-1,4-diazepane-1-carboxamide
CID 110811718
4-(2-methoxy-4,5-dimethylbenzoyl)-N-propyl-1,4-diazepane-1-carboxamide
CID 110813465
1-[4-(2-methoxy-4,5-dimethylbenzoyl)-1,4-diazepan-1-yl]-3-methylbutan-1-one
CID 110806864
2-bromo-1-(5-chloro-2-methoxy-4-methylphenyl)propan-1-one
CID 82489786
4-(2-methyl-5-propan-2-ylbenzoyl)-N-propan-2-ylpiperazine-1-carboxamide
CID 110812678

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-methoxy-4-methylbenzoyl)-N-propan-2-ylpiperazine-1-carboxamide?
The IUPAC name of 4-(5-chloro-2-methoxy-4-methylbenzoyl)-N-propan-2-ylpiperazine-1-carboxamide (CID 110812493) is 4-(5-chloro-2-methoxy-4-methylbenzoyl)-N-propan-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(5-chloro-2-methoxy-4-methylbenzoyl)-N-propan-2-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-(5-chloro-2-methoxy-4-methylbenzoyl)-N-propan-2-ylpiperazine-1-carboxamide is COc1cc(C)c(Cl)cc1C(=O)N1CCN(C(=O)NC(C)C)CC1.
What is the InChIKey of 4-(5-chloro-2-methoxy-4-methylbenzoyl)-N-propan-2-ylpiperazine-1-carboxamide?
The InChIKey is BFWOGDMQZOJRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O3/c1-11(2)19-17(23)21-7-5-20(6-8-21)16(22)13-10-14(18)12(3)9-15(13)24-4/h9-11H,5-8H2,1-4H3,(H,19,23).
What are the key properties of 4-(5-chloro-2-methoxy-4-methylbenzoyl)-N-propan-2-ylpiperazine-1-carboxamide?
4-(5-chloro-2-methoxy-4-methylbenzoyl)-N-propan-2-ylpiperazine-1-carboxamide has a molecular weight of 353.85 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-methoxy-4-methylbenzoyl)-N-propan-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 110812493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).