4-(2-methyl-5-propan-2-ylbenzoyl)-N-propan-2-ylpiperazine-1-carboxamide

C19H29N3O2 — CID 110812678

IUPAC4-(2-methyl-5-propan-2-ylbenzoyl)-N-propan-2-ylpiperazine-1-carboxamide
SMILESCc1ccc(C(C)C)cc1C(=O)N1CCN(C(=O)NC(C)C)CC1
InChIInChI=1S/C19H29N3O2/c1-13(2)16-7-6-15(5)17(12-16)18(23)21-8-10-22(11-9-21)19(24)20-14(3)4/h6-7,12-14H,8-11H2,1-5H3,(H,20,24)
InChIKeyGKQKUQAXCKHQJV-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.99
Rot. Bonds3

About 4-(2-methyl-5-propan-2-ylbenzoyl)-N-propan-2-ylpiperazine-1-carboxamide

4-(2-methyl-5-propan-2-ylbenzoyl)-N-propan-2-ylpiperazine-1-carboxamide (PubChem CID 110812678) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 4-(2-methyl-5-propan-2-ylbenzoyl)-N-propan-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-methyl-5-propan-2-ylbenzoyl)-N-propan-2-ylpiperazine-1-carboxamide
PubChem CID110812678
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name4-(2-methyl-5-propan-2-ylbenzoyl)-N-propan-2-ylpiperazine-1-carboxamide
SMILESCc1ccc(C(C)C)cc1C(=O)N1CCN(C(=O)NC(C)C)CC1
InChIInChI=1S/C19H29N3O2/c1-13(2)16-7-6-15(5)17(12-16)18(23)21-8-10-22(11-9-21)19(24)20-14(3)4/h6-7,12-14H,8-11H2,1-5H3,(H,20,24)
InChIKeyGKQKUQAXCKHQJV-UHFFFAOYSA-N
XLogP2.99
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopentyl-4-(2-methyl-5-propan-2-ylbenzoyl)-1,4-diazepane-1-carboxamide
CID 110813643
(4-ethylsulfonylpiperazin-1-yl)-(2-methyl-5-propan-2-ylphenyl)methanone
CID 110804708
5-[4-(2-methyl-5-propan-2-ylbenzoyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 110816230
4-(2,4-dichlorobenzoyl)-N-propan-2-yl-1,4-diazepane-1-carboxamide
CID 110811718
4-(2,5-difluorobenzoyl)-N-propan-2-yl-1,4-diazepane-1-carboxamide
CID 110813489
4-(5-chloro-2-methoxy-4-methylbenzoyl)-N-propan-2-ylpiperazine-1-carboxamide
CID 110812493
2-(piperidine-1-carbonyl)-5-propan-2-ylbenzamide
CID 68832507
4-(5-chloro-2-methylphenyl)-N-propan-2-ylpiperazine-1-carboxamide
CID 17424002
N-propan-2-yl-4-(2,3,4-trifluorobenzoyl)-1,4-diazepane-1-carboxamide
CID 110811670
N-propan-2-yl-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide
CID 113076318
[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 55574956
4-(2-methoxy-4-propan-2-ylbenzoyl)-N-propylpiperazine-1-carboxamide
CID 110812594

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-5-propan-2-ylbenzoyl)-N-propan-2-ylpiperazine-1-carboxamide?
The IUPAC name of 4-(2-methyl-5-propan-2-ylbenzoyl)-N-propan-2-ylpiperazine-1-carboxamide (CID 110812678) is 4-(2-methyl-5-propan-2-ylbenzoyl)-N-propan-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(2-methyl-5-propan-2-ylbenzoyl)-N-propan-2-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-(2-methyl-5-propan-2-ylbenzoyl)-N-propan-2-ylpiperazine-1-carboxamide is Cc1ccc(C(C)C)cc1C(=O)N1CCN(C(=O)NC(C)C)CC1.
What is the InChIKey of 4-(2-methyl-5-propan-2-ylbenzoyl)-N-propan-2-ylpiperazine-1-carboxamide?
The InChIKey is GKQKUQAXCKHQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-13(2)16-7-6-15(5)17(12-16)18(23)21-8-10-22(11-9-21)19(24)20-14(3)4/h6-7,12-14H,8-11H2,1-5H3,(H,20,24).
What are the key properties of 4-(2-methyl-5-propan-2-ylbenzoyl)-N-propan-2-ylpiperazine-1-carboxamide?
4-(2-methyl-5-propan-2-ylbenzoyl)-N-propan-2-ylpiperazine-1-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-5-propan-2-ylbenzoyl)-N-propan-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 110812678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).