N-cyclopropyl-2-[4-[2-(3,4-dimethylbenzoyl)benzoyl]piperazin-1-yl]acetamide

C25H29N3O3 — CID 36936549

IUPACN-cyclopropyl-2-[4-[2-(3,4-dimethylbenzoyl)benzoyl]piperazin-1-yl]acetamide
SMILESCc1ccc(C(=O)c2ccccc2C(=O)N2CCN(CC(=O)NC3CC3)CC2)cc1C
InChIInChI=1S/C25H29N3O3/c1-17-7-8-19(15-18(17)2)24(30)21-5-3-4-6-22(21)25(31)28-13-11-27(12-14-28)16-23(29)26-20-9-10-20/h3-8,15,20H,9-14,16H2,1-2H3,(H,26,29)
InChIKeyDKQDAIHMECUPOT-UHFFFAOYSA-N
MW419.53 g/mol
LogP2.57
Rot. Bonds6

About N-cyclopropyl-2-[4-[2-(3,4-dimethylbenzoyl)benzoyl]piperazin-1-yl]acetamide

N-cyclopropyl-2-[4-[2-(3,4-dimethylbenzoyl)benzoyl]piperazin-1-yl]acetamide (PubChem CID 36936549) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-[2-(3,4-dimethylbenzoyl)benzoyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-[2-(3,4-dimethylbenzoyl)benzoyl]piperazin-1-yl]acetamide
PubChem CID36936549
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC NameN-cyclopropyl-2-[4-[2-(3,4-dimethylbenzoyl)benzoyl]piperazin-1-yl]acetamide
SMILESCc1ccc(C(=O)c2ccccc2C(=O)N2CCN(CC(=O)NC3CC3)CC2)cc1C
InChIInChI=1S/C25H29N3O3/c1-17-7-8-19(15-18(17)2)24(30)21-5-3-4-6-22(21)25(31)28-13-11-27(12-14-28)16-23(29)26-20-9-10-20/h3-8,15,20H,9-14,16H2,1-2H3,(H,26,29)
InChIKeyDKQDAIHMECUPOT-UHFFFAOYSA-N
XLogP2.57
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-chlorobenzoyl)piperazin-1-yl]-N-cyclopropylacetamide
CID 35372589
N-cyclopropyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide
CID 51221138
1-[2-(3,4-dimethylbenzoyl)benzoyl]piperidine-4-carboxylic acid
CID 75428699
N-cyclopropyl-2-[4-[2-(thiophene-2-carbonyl)benzoyl]piperazin-1-yl]acetamide
CID 51206929
N-cyclohexyl-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide
CID 87017869
N-cyclopropyl-2-[4-(3-hydroxynaphthalene-2-carbonyl)piperazin-1-yl]acetamide
CID 51206869
2-(3,4-dimethylbenzoyl)-N-(1-methylpiperidin-4-yl)benzamide
CID 86919755
N-cyclopropyl-2-[4-(2,4,6-trimethylbenzoyl)piperazin-1-yl]acetamide
CID 146085050
N-cyclopropyl-2-[[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]acetyl]amino]benzamide
CID 55840022
N-cyclopropyl-2-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]acetamide
CID 31427575
3,4-dimethyl-N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]benzamide
CID 108557610
1-[2-(3,4-dimethylbenzoyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 119353919

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-[2-(3,4-dimethylbenzoyl)benzoyl]piperazin-1-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[4-[2-(3,4-dimethylbenzoyl)benzoyl]piperazin-1-yl]acetamide (CID 36936549) is N-cyclopropyl-2-[4-[2-(3,4-dimethylbenzoyl)benzoyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[4-[2-(3,4-dimethylbenzoyl)benzoyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[4-[2-(3,4-dimethylbenzoyl)benzoyl]piperazin-1-yl]acetamide is Cc1ccc(C(=O)c2ccccc2C(=O)N2CCN(CC(=O)NC3CC3)CC2)cc1C.
What is the InChIKey of N-cyclopropyl-2-[4-[2-(3,4-dimethylbenzoyl)benzoyl]piperazin-1-yl]acetamide?
The InChIKey is DKQDAIHMECUPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3/c1-17-7-8-19(15-18(17)2)24(30)21-5-3-4-6-22(21)25(31)28-13-11-27(12-14-28)16-23(29)26-20-9-10-20/h3-8,15,20H,9-14,16H2,1-2H3,(H,26,29).
What are the key properties of N-cyclopropyl-2-[4-[2-(3,4-dimethylbenzoyl)benzoyl]piperazin-1-yl]acetamide?
N-cyclopropyl-2-[4-[2-(3,4-dimethylbenzoyl)benzoyl]piperazin-1-yl]acetamide has a molecular weight of 419.53 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-[2-(3,4-dimethylbenzoyl)benzoyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 36936549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).