4-(2-methoxy-4,6-dimethylbenzoyl)-N-propylpiperazine-1-carboxamide

C18H27N3O3 — CID 110812720

IUPAC4-(2-methoxy-4,6-dimethylbenzoyl)-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(C(=O)c2c(C)cc(C)cc2OC)CC1
InChIInChI=1S/C18H27N3O3/c1-5-6-19-18(23)21-9-7-20(8-10-21)17(22)16-14(3)11-13(2)12-15(16)24-4/h11-12H,5-10H2,1-4H3,(H,19,23)
InChIKeyAVWDHAMXILAFGS-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.19
Rot. Bonds4

About 4-(2-methoxy-4,6-dimethylbenzoyl)-N-propylpiperazine-1-carboxamide

4-(2-methoxy-4,6-dimethylbenzoyl)-N-propylpiperazine-1-carboxamide (PubChem CID 110812720) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 4-(2-methoxy-4,6-dimethylbenzoyl)-N-propylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-methoxy-4,6-dimethylbenzoyl)-N-propylpiperazine-1-carboxamide
PubChem CID110812720
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name4-(2-methoxy-4,6-dimethylbenzoyl)-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(C(=O)c2c(C)cc(C)cc2OC)CC1
InChIInChI=1S/C18H27N3O3/c1-5-6-19-18(23)21-9-7-20(8-10-21)17(22)16-14(3)11-13(2)12-15(16)24-4/h11-12H,5-10H2,1-4H3,(H,19,23)
InChIKeyAVWDHAMXILAFGS-UHFFFAOYSA-N
XLogP2.19
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methoxy-4,5-dimethylbenzoyl)-N-propyl-1,4-diazepane-1-carboxamide
CID 110813465
4-(4-methoxy-3-methylbenzoyl)-N-propylpiperazine-1-carboxamide
CID 110812267
4-(5-chloro-4-methoxy-2-methylbenzoyl)-N-propyl-1,4-diazepane-1-carboxamide
CID 110813528
ethyl 1-(2-methoxy-4,6-dimethylbenzoyl)piperidine-4-carboxylate
CID 110764961
4-[2-(2-methoxy-3,5-dimethylphenyl)acetyl]-N-propyl-1,4-diazepane-1-carboxamide
CID 110813893
4-(3,5-dimethoxybenzoyl)-N-propylpiperazine-1-carboxamide
CID 110365697
4-(4-methoxy-2,3-dimethylbenzoyl)-N-propyl-1,4-diazepane-1-carboxamide
CID 110813604
furan-2-yl-[4-(2-methoxy-4,6-dimethylbenzoyl)piperazin-1-yl]methanone
CID 110764965
4-(4-ethoxy-2,5-dimethylbenzoyl)-N-propylpiperazine-1-carboxamide
CID 110812410
phenyl 4-(2-methoxy-4,6-dimethylbenzoyl)piperazine-1-carboxylate
CID 110803586
4-(2,5-dimethoxybenzoyl)-N-propyl-1,4-diazepane-1-carboxamide
CID 110813383
4-(2-methoxy-4-propan-2-ylbenzoyl)-N-propylpiperazine-1-carboxamide
CID 110812594

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-4,6-dimethylbenzoyl)-N-propylpiperazine-1-carboxamide?
The IUPAC name of 4-(2-methoxy-4,6-dimethylbenzoyl)-N-propylpiperazine-1-carboxamide (CID 110812720) is 4-(2-methoxy-4,6-dimethylbenzoyl)-N-propylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(2-methoxy-4,6-dimethylbenzoyl)-N-propylpiperazine-1-carboxamide?
The canonical SMILES for 4-(2-methoxy-4,6-dimethylbenzoyl)-N-propylpiperazine-1-carboxamide is CCCNC(=O)N1CCN(C(=O)c2c(C)cc(C)cc2OC)CC1.
What is the InChIKey of 4-(2-methoxy-4,6-dimethylbenzoyl)-N-propylpiperazine-1-carboxamide?
The InChIKey is AVWDHAMXILAFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-5-6-19-18(23)21-9-7-20(8-10-21)17(22)16-14(3)11-13(2)12-15(16)24-4/h11-12H,5-10H2,1-4H3,(H,19,23).
What are the key properties of 4-(2-methoxy-4,6-dimethylbenzoyl)-N-propylpiperazine-1-carboxamide?
4-(2-methoxy-4,6-dimethylbenzoyl)-N-propylpiperazine-1-carboxamide has a molecular weight of 333.43 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-4,6-dimethylbenzoyl)-N-propylpiperazine-1-carboxamide is sourced from PubChem (CID 110812720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).