N-cyclopropyl-2-[4-[3-(4-ethylphenyl)propanoyl]piperazin-1-yl]propanamide

C21H31N3O2 — CID 51299654

IUPACN-cyclopropyl-2-[4-[3-(4-ethylphenyl)propanoyl]piperazin-1-yl]propanamide
SMILESCCc1ccc(CCC(=O)N2CCN(C(C)C(=O)NC3CC3)CC2)cc1
InChIInChI=1S/C21H31N3O2/c1-3-17-4-6-18(7-5-17)8-11-20(25)24-14-12-23(13-15-24)16(2)21(26)22-19-9-10-19/h4-7,16,19H,3,8-15H2,1-2H3,(H,22,26)
InChIKeyZCETWEZIXORYSP-UHFFFAOYSA-N
MW357.50 g/mol
LogP1.99
Rot. Bonds7

About N-cyclopropyl-2-[4-[3-(4-ethylphenyl)propanoyl]piperazin-1-yl]propanamide

N-cyclopropyl-2-[4-[3-(4-ethylphenyl)propanoyl]piperazin-1-yl]propanamide (PubChem CID 51299654) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-[3-(4-ethylphenyl)propanoyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-[3-(4-ethylphenyl)propanoyl]piperazin-1-yl]propanamide
PubChem CID51299654
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC NameN-cyclopropyl-2-[4-[3-(4-ethylphenyl)propanoyl]piperazin-1-yl]propanamide
SMILESCCc1ccc(CCC(=O)N2CCN(C(C)C(=O)NC3CC3)CC2)cc1
InChIInChI=1S/C21H31N3O2/c1-3-17-4-6-18(7-5-17)8-11-20(25)24-14-12-23(13-15-24)16(2)21(26)22-19-9-10-19/h4-7,16,19H,3,8-15H2,1-2H3,(H,22,26)
InChIKeyZCETWEZIXORYSP-UHFFFAOYSA-N
XLogP1.99
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-[4-[4-(4-ethylphenyl)-4-oxobutanoyl]piperazin-1-yl]propanamide
CID 51299602
2-[4-[3-(2-aminophenyl)propanoyl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 120612201
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
2-[4-(3-aminopropanoyl)piperazin-1-yl]-N-cyclopropylpropanamide;dihydrochloride
CID 119839096
2-methyl-N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]propanamide
CID 110822595
N-[3-[4-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperazin-1-yl]-3-oxopropyl]benzamide
CID 51299599
N-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]-2-methylpropanamide
CID 110822653
N-cyclopropyl-2-[4-[3-(2-oxo-1-pyridinyl)propanoyl]piperazin-1-yl]propanamide
CID 86979582
(2R)-N-tert-butyl-2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]propanamide
CID 52507184
2-[4-[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 51329176

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-[3-(4-ethylphenyl)propanoyl]piperazin-1-yl]propanamide?
The IUPAC name of N-cyclopropyl-2-[4-[3-(4-ethylphenyl)propanoyl]piperazin-1-yl]propanamide (CID 51299654) is N-cyclopropyl-2-[4-[3-(4-ethylphenyl)propanoyl]piperazin-1-yl]propanamide.
What is the SMILES notation for N-cyclopropyl-2-[4-[3-(4-ethylphenyl)propanoyl]piperazin-1-yl]propanamide?
The canonical SMILES for N-cyclopropyl-2-[4-[3-(4-ethylphenyl)propanoyl]piperazin-1-yl]propanamide is CCc1ccc(CCC(=O)N2CCN(C(C)C(=O)NC3CC3)CC2)cc1.
What is the InChIKey of N-cyclopropyl-2-[4-[3-(4-ethylphenyl)propanoyl]piperazin-1-yl]propanamide?
The InChIKey is ZCETWEZIXORYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-3-17-4-6-18(7-5-17)8-11-20(25)24-14-12-23(13-15-24)16(2)21(26)22-19-9-10-19/h4-7,16,19H,3,8-15H2,1-2H3,(H,22,26).
What are the key properties of N-cyclopropyl-2-[4-[3-(4-ethylphenyl)propanoyl]piperazin-1-yl]propanamide?
N-cyclopropyl-2-[4-[3-(4-ethylphenyl)propanoyl]piperazin-1-yl]propanamide has a molecular weight of 357.50 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-[3-(4-ethylphenyl)propanoyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 51299654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).