N-[2-(4-cyclopropylpiperazin-1-yl)-2-oxoethyl]-3-(4-methylphenyl)-2-oxopropanamide

C19H25N3O3 — CID 113098017

IUPACN-[2-(4-cyclopropylpiperazin-1-yl)-2-oxoethyl]-3-(4-methylphenyl)-2-oxopropanamide
SMILESCc1ccc(CC(=O)C(=O)NCC(=O)N2CCN(C3CC3)CC2)cc1
InChIInChI=1S/C19H25N3O3/c1-14-2-4-15(5-3-14)12-17(23)19(25)20-13-18(24)22-10-8-21(9-11-22)16-6-7-16/h2-5,16H,6-13H2,1H3,(H,20,25)
InChIKeyGCVSILWEBRXHHG-UHFFFAOYSA-N
MW343.43 g/mol
LogP0.53
Rot. Bonds6

About N-[2-(4-cyclopropylpiperazin-1-yl)-2-oxoethyl]-3-(4-methylphenyl)-2-oxopropanamide

N-[2-(4-cyclopropylpiperazin-1-yl)-2-oxoethyl]-3-(4-methylphenyl)-2-oxopropanamide (PubChem CID 113098017) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[2-(4-cyclopropylpiperazin-1-yl)-2-oxoethyl]-3-(4-methylphenyl)-2-oxopropanamide.

Molecular Properties

Compound NameN-[2-(4-cyclopropylpiperazin-1-yl)-2-oxoethyl]-3-(4-methylphenyl)-2-oxopropanamide
PubChem CID113098017
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC NameN-[2-(4-cyclopropylpiperazin-1-yl)-2-oxoethyl]-3-(4-methylphenyl)-2-oxopropanamide
SMILESCc1ccc(CC(=O)C(=O)NCC(=O)N2CCN(C3CC3)CC2)cc1
InChIInChI=1S/C19H25N3O3/c1-14-2-4-15(5-3-14)12-17(23)19(25)20-13-18(24)22-10-8-21(9-11-22)16-6-7-16/h2-5,16H,6-13H2,1H3,(H,20,25)
InChIKeyGCVSILWEBRXHHG-UHFFFAOYSA-N
XLogP0.53
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-cyclopropylpiperazin-1-yl)-2-oxoethyl]-2-oxo-3-phenylpropanamide
CID 113097993
N-[2-(4-cyclopropylpiperazin-1-yl)-2-oxoethyl]-1-(4-ethylphenyl)sulfonylformamide
CID 113098040
methyl 2-[[2-(4-cyclopropylpiperazin-1-yl)-2-oxoethyl]amino]-2-oxoacetate
CID 113098020
2-(4-tert-butylphenyl)-N-[2-(4-cyclopropylpiperazin-1-yl)-2-oxoethyl]-2-oxoacetamide
CID 113097989
N-[2-(4-cyclopropylpiperazin-1-yl)-2-oxoethyl]-1-(2-methoxy-5-methylphenyl)sulfonylformamide
CID 113098047
1-[4-[2-(methylamino)acetyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone;hydrochloride
CID 119767898
4-cyclopropyl-N-(4-methylphenyl)piperazine-1-carboxamide
CID 47455397
2-(4-methylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)acetamide
CID 110712382
N-[2-(4-cyclopropylpiperazin-1-yl)-2-oxoethyl]-1-(2-phenylethylsulfonyl)formamide
CID 113098055
N-[2-(azetidin-1-yl)-2-oxoethyl]-3-(4-methylphenyl)propanamide
CID 60610713
1-[2-[3-(4-methylphenyl)propanoylamino]acetyl]piperidine-4-carboxylic acid
CID 119166509
1-(4-cyclopentylpiperazin-1-yl)-2-(4-fluorophenyl)ethanone
CID 110708885

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyclopropylpiperazin-1-yl)-2-oxoethyl]-3-(4-methylphenyl)-2-oxopropanamide?
The IUPAC name of N-[2-(4-cyclopropylpiperazin-1-yl)-2-oxoethyl]-3-(4-methylphenyl)-2-oxopropanamide (CID 113098017) is N-[2-(4-cyclopropylpiperazin-1-yl)-2-oxoethyl]-3-(4-methylphenyl)-2-oxopropanamide.
What is the SMILES notation for N-[2-(4-cyclopropylpiperazin-1-yl)-2-oxoethyl]-3-(4-methylphenyl)-2-oxopropanamide?
The canonical SMILES for N-[2-(4-cyclopropylpiperazin-1-yl)-2-oxoethyl]-3-(4-methylphenyl)-2-oxopropanamide is Cc1ccc(CC(=O)C(=O)NCC(=O)N2CCN(C3CC3)CC2)cc1.
What is the InChIKey of N-[2-(4-cyclopropylpiperazin-1-yl)-2-oxoethyl]-3-(4-methylphenyl)-2-oxopropanamide?
The InChIKey is GCVSILWEBRXHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-14-2-4-15(5-3-14)12-17(23)19(25)20-13-18(24)22-10-8-21(9-11-22)16-6-7-16/h2-5,16H,6-13H2,1H3,(H,20,25).
What are the key properties of N-[2-(4-cyclopropylpiperazin-1-yl)-2-oxoethyl]-3-(4-methylphenyl)-2-oxopropanamide?
N-[2-(4-cyclopropylpiperazin-1-yl)-2-oxoethyl]-3-(4-methylphenyl)-2-oxopropanamide has a molecular weight of 343.43 g/mol, XLogP of 0.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyclopropylpiperazin-1-yl)-2-oxoethyl]-3-(4-methylphenyl)-2-oxopropanamide is sourced from PubChem (CID 113098017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).