3-(4-chlorophenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-2-methylpropanamide

C19H28ClN3O2 — CID 110306300

IUPAC3-(4-chlorophenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-2-methylpropanamide
SMILESCCN1CCN(C(=O)CCNC(=O)C(C)Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H28ClN3O2/c1-3-22-10-12-23(13-11-22)18(24)8-9-21-19(25)15(2)14-16-4-6-17(20)7-5-16/h4-7,15H,3,8-14H2,1-2H3,(H,21,25)
InChIKeyIQENWFQZGHOXOV-UHFFFAOYSA-N
MW365.91 g/mol
LogP2.19
Rot. Bonds7

About 3-(4-chlorophenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-2-methylpropanamide

3-(4-chlorophenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-2-methylpropanamide (PubChem CID 110306300) has the molecular formula C19H28ClN3O2 and a molecular weight of 365.91 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-2-methylpropanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-2-methylpropanamide
PubChem CID110306300
Molecular FormulaC19H28ClN3O2
Molecular Weight365.91 g/mol
Exact Mass365.19
IUPAC Name3-(4-chlorophenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-2-methylpropanamide
SMILESCCN1CCN(C(=O)CCNC(=O)C(C)Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H28ClN3O2/c1-3-22-10-12-23(13-11-22)18(24)8-9-21-19(25)15(2)14-16-4-6-17(20)7-5-16/h4-7,15H,3,8-14H2,1-2H3,(H,21,25)
InChIKeyIQENWFQZGHOXOV-UHFFFAOYSA-N
XLogP2.19
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.91
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-chlorophenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-4-oxobutanamide
CID 110306289
3-(4-chlorophenyl)-1-[4-[3-(diethylamino)propanoyl]piperazin-1-yl]-2-methylpropan-1-one
CID 110420494
4-(3-chlorophenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]butanamide
CID 110427003
N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-4-methyl-3-(4-methylphenyl)pentanamide
CID 110354079
3-(2,6-dichloroanilino)-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 109017608
3-(4-chlorophenyl)-2-methyl-N-(2-piperidin-1-ylpropyl)propanamide
CID 110301735
4-chloro-N-[3-oxo-3-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]propyl]benzamide
CID 38027747
N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-3-(4-fluorophenyl)-4-methylpentanamide
CID 110354080
4-chloro-N-[1-(4-ethylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 112759974
2-chloro-N-[3-oxo-3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propyl]benzamide
CID 9109853
4-bromo-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]benzamide
CID 7964467
N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-2-(4-morpholin-4-ylphenyl)acetamide
CID 110426948

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-2-methylpropanamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-2-methylpropanamide (CID 110306300) is 3-(4-chlorophenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-2-methylpropanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-2-methylpropanamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-2-methylpropanamide is CCN1CCN(C(=O)CCNC(=O)C(C)Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 3-(4-chlorophenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-2-methylpropanamide?
The InChIKey is IQENWFQZGHOXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClN3O2/c1-3-22-10-12-23(13-11-22)18(24)8-9-21-19(25)15(2)14-16-4-6-17(20)7-5-16/h4-7,15H,3,8-14H2,1-2H3,(H,21,25).
What are the key properties of 3-(4-chlorophenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-2-methylpropanamide?
3-(4-chlorophenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-2-methylpropanamide has a molecular weight of 365.91 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-2-methylpropanamide is sourced from PubChem (CID 110306300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).