4-(2-methoxy-4-propan-2-ylbenzoyl)-N-propylpiperazine-1-carboxamide

C19H29N3O3 — CID 110812594

IUPAC4-(2-methoxy-4-propan-2-ylbenzoyl)-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(C(=O)c2ccc(C(C)C)cc2OC)CC1
InChIInChI=1S/C19H29N3O3/c1-5-8-20-19(24)22-11-9-21(10-12-22)18(23)16-7-6-15(14(2)3)13-17(16)25-4/h6-7,13-14H,5,8-12H2,1-4H3,(H,20,24)
InChIKeyXDNBSNMOFGTHOH-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.70
Rot. Bonds5

About 4-(2-methoxy-4-propan-2-ylbenzoyl)-N-propylpiperazine-1-carboxamide

4-(2-methoxy-4-propan-2-ylbenzoyl)-N-propylpiperazine-1-carboxamide (PubChem CID 110812594) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 4-(2-methoxy-4-propan-2-ylbenzoyl)-N-propylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-methoxy-4-propan-2-ylbenzoyl)-N-propylpiperazine-1-carboxamide
PubChem CID110812594
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name4-(2-methoxy-4-propan-2-ylbenzoyl)-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(C(=O)c2ccc(C(C)C)cc2OC)CC1
InChIInChI=1S/C19H29N3O3/c1-5-8-20-19(24)22-11-9-21(10-12-22)18(23)16-7-6-15(14(2)3)13-17(16)25-4/h6-7,13-14H,5,8-12H2,1-4H3,(H,20,24)
InChIKeyXDNBSNMOFGTHOH-UHFFFAOYSA-N
XLogP2.70
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.70
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-2,3-dimethylbenzoyl)-N-propyl-1,4-diazepane-1-carboxamide
CID 110813604
4-(2,5-dimethoxybenzoyl)-N-propyl-1,4-diazepane-1-carboxamide
CID 110813383
4-(4-methoxy-3-methylbenzoyl)-N-propylpiperazine-1-carboxamide
CID 110812267
4-(4-propan-2-ylphenyl)-N-propylpiperazine-1-carboxamide
CID 113103254
4-(5-chloro-4-methoxy-2-methylbenzoyl)-N-propyl-1,4-diazepane-1-carboxamide
CID 110813528
[4-(2-methoxy-4-propan-2-ylbenzoyl)-1,4-diazepan-1-yl]-(oxolan-2-yl)methanone
CID 110807146
4-(2,4-difluorobenzoyl)-N-propylpiperazine-1-carboxamide
CID 110812532
4-(2-methoxy-4,6-dimethylbenzoyl)-N-propylpiperazine-1-carboxamide
CID 110812720
1-[4-(2-methoxy-5-propan-2-ylbenzoyl)-1,4-diazepan-1-yl]butan-1-one
CID 110805992
4-(3,5-dimethoxybenzoyl)-N-propylpiperazine-1-carboxamide
CID 110365697
4-(2,4-dimethoxybenzoyl)-N-prop-2-ynylpiperazine-1-carboxamide
CID 51089081

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-4-propan-2-ylbenzoyl)-N-propylpiperazine-1-carboxamide?
The IUPAC name of 4-(2-methoxy-4-propan-2-ylbenzoyl)-N-propylpiperazine-1-carboxamide (CID 110812594) is 4-(2-methoxy-4-propan-2-ylbenzoyl)-N-propylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(2-methoxy-4-propan-2-ylbenzoyl)-N-propylpiperazine-1-carboxamide?
The canonical SMILES for 4-(2-methoxy-4-propan-2-ylbenzoyl)-N-propylpiperazine-1-carboxamide is CCCNC(=O)N1CCN(C(=O)c2ccc(C(C)C)cc2OC)CC1.
What is the InChIKey of 4-(2-methoxy-4-propan-2-ylbenzoyl)-N-propylpiperazine-1-carboxamide?
The InChIKey is XDNBSNMOFGTHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-5-8-20-19(24)22-11-9-21(10-12-22)18(23)16-7-6-15(14(2)3)13-17(16)25-4/h6-7,13-14H,5,8-12H2,1-4H3,(H,20,24).
What are the key properties of 4-(2-methoxy-4-propan-2-ylbenzoyl)-N-propylpiperazine-1-carboxamide?
4-(2-methoxy-4-propan-2-ylbenzoyl)-N-propylpiperazine-1-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-4-propan-2-ylbenzoyl)-N-propylpiperazine-1-carboxamide is sourced from PubChem (CID 110812594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).