N-cyclopropyl-2-[4-[4-(4-ethylphenyl)-4-oxobutanoyl]piperazin-1-yl]propanamide

C22H31N3O3 — CID 51299602

IUPACN-cyclopropyl-2-[4-[4-(4-ethylphenyl)-4-oxobutanoyl]piperazin-1-yl]propanamide
SMILESCCc1ccc(C(=O)CCC(=O)N2CCN(C(C)C(=O)NC3CC3)CC2)cc1
InChIInChI=1S/C22H31N3O3/c1-3-17-4-6-18(7-5-17)20(26)10-11-21(27)25-14-12-24(13-15-25)16(2)22(28)23-19-8-9-19/h4-7,16,19H,3,8-15H2,1-2H3,(H,23,28)
InChIKeyRHTUZOFYCJHZSO-UHFFFAOYSA-N
MW385.51 g/mol
LogP2.02
Rot. Bonds8

About N-cyclopropyl-2-[4-[4-(4-ethylphenyl)-4-oxobutanoyl]piperazin-1-yl]propanamide

N-cyclopropyl-2-[4-[4-(4-ethylphenyl)-4-oxobutanoyl]piperazin-1-yl]propanamide (PubChem CID 51299602) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-[4-(4-ethylphenyl)-4-oxobutanoyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-[4-(4-ethylphenyl)-4-oxobutanoyl]piperazin-1-yl]propanamide
PubChem CID51299602
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC NameN-cyclopropyl-2-[4-[4-(4-ethylphenyl)-4-oxobutanoyl]piperazin-1-yl]propanamide
SMILESCCc1ccc(C(=O)CCC(=O)N2CCN(C(C)C(=O)NC3CC3)CC2)cc1
InChIInChI=1S/C22H31N3O3/c1-3-17-4-6-18(7-5-17)20(26)10-11-21(27)25-14-12-24(13-15-25)16(2)22(28)23-19-8-9-19/h4-7,16,19H,3,8-15H2,1-2H3,(H,23,28)
InChIKeyRHTUZOFYCJHZSO-UHFFFAOYSA-N
XLogP2.02
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-[4-[3-(4-ethylphenyl)propanoyl]piperazin-1-yl]propanamide
CID 51299654
2-[4-[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 51329176
N-cyclopropyl-2-[4-[2-(4-hydroxyphenyl)acetyl]piperazin-1-yl]propanamide
CID 78831379
2-[4-(3-aminopropanoyl)piperazin-1-yl]-N-cyclopropylpropanamide
CID 119839097
2-[4-[2-(4-aminophenyl)acetyl]piperazin-1-yl]-N-cyclopropylpropanamide;dihydrochloride
CID 119839030
1-[4-(4-ethylphenyl)-4-oxobutanoyl]piperidine-4-carboxylic acid
CID 119349834
N-[3-[4-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperazin-1-yl]-3-oxopropyl]benzamide
CID 51299599
2-[4-(3-aminopropanoyl)piperazin-1-yl]-N-cyclopropylpropanamide;dihydrochloride
CID 119839096
N-cyclopropyl-2-[4-[4-(methoxymethyl)benzoyl]piperazin-1-yl]propanamide
CID 51299638
2-[4-[3-(2-aminophenyl)propanoyl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 120612201
4-bromo-N-[2-[4-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperazin-1-yl]-2-oxoethyl]benzamide
CID 112806843
1-(4-ethylphenyl)-4-[4-(furan-3-carbonyl)piperazin-1-yl]butane-1,4-dione
CID 32528448

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-[4-(4-ethylphenyl)-4-oxobutanoyl]piperazin-1-yl]propanamide?
The IUPAC name of N-cyclopropyl-2-[4-[4-(4-ethylphenyl)-4-oxobutanoyl]piperazin-1-yl]propanamide (CID 51299602) is N-cyclopropyl-2-[4-[4-(4-ethylphenyl)-4-oxobutanoyl]piperazin-1-yl]propanamide.
What is the SMILES notation for N-cyclopropyl-2-[4-[4-(4-ethylphenyl)-4-oxobutanoyl]piperazin-1-yl]propanamide?
The canonical SMILES for N-cyclopropyl-2-[4-[4-(4-ethylphenyl)-4-oxobutanoyl]piperazin-1-yl]propanamide is CCc1ccc(C(=O)CCC(=O)N2CCN(C(C)C(=O)NC3CC3)CC2)cc1.
What is the InChIKey of N-cyclopropyl-2-[4-[4-(4-ethylphenyl)-4-oxobutanoyl]piperazin-1-yl]propanamide?
The InChIKey is RHTUZOFYCJHZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3/c1-3-17-4-6-18(7-5-17)20(26)10-11-21(27)25-14-12-24(13-15-25)16(2)22(28)23-19-8-9-19/h4-7,16,19H,3,8-15H2,1-2H3,(H,23,28).
What are the key properties of N-cyclopropyl-2-[4-[4-(4-ethylphenyl)-4-oxobutanoyl]piperazin-1-yl]propanamide?
N-cyclopropyl-2-[4-[4-(4-ethylphenyl)-4-oxobutanoyl]piperazin-1-yl]propanamide has a molecular weight of 385.51 g/mol, XLogP of 2.02, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-[4-(4-ethylphenyl)-4-oxobutanoyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 51299602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).