2-[4-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]piperazin-1-yl]-N-cyclopropylpropanamide

C20H29ClN4O2 — CID 46681683

IUPAC2-[4-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]piperazin-1-yl]-N-cyclopropylpropanamide
SMILESCc1ccc(Cl)cc1NC(=O)C(C)N1CCN(C(C)C(=O)NC2CC2)CC1
InChIInChI=1S/C20H29ClN4O2/c1-13-4-5-16(21)12-18(13)23-20(27)15(3)25-10-8-24(9-11-25)14(2)19(26)22-17-6-7-17/h4-5,12,14-15,17H,6-11H2,1-3H3,(H,22,26)(H,23,27)
InChIKeyNUNZKRMULKNIFB-UHFFFAOYSA-N
MW392.93 g/mol
LogP2.26
Rot. Bonds6

About 2-[4-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]piperazin-1-yl]-N-cyclopropylpropanamide

2-[4-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]piperazin-1-yl]-N-cyclopropylpropanamide (PubChem CID 46681683) has the molecular formula C20H29ClN4O2 and a molecular weight of 392.93 g/mol. Its IUPAC name is 2-[4-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]piperazin-1-yl]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name2-[4-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]piperazin-1-yl]-N-cyclopropylpropanamide
PubChem CID46681683
Molecular FormulaC20H29ClN4O2
Molecular Weight392.93 g/mol
Exact Mass392.20
IUPAC Name2-[4-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]piperazin-1-yl]-N-cyclopropylpropanamide
SMILESCc1ccc(Cl)cc1NC(=O)C(C)N1CCN(C(C)C(=O)NC2CC2)CC1
InChIInChI=1S/C20H29ClN4O2/c1-13-4-5-16(21)12-18(13)23-20(27)15(3)25-10-8-24(9-11-25)14(2)19(26)22-17-6-7-17/h4-5,12,14-15,17H,6-11H2,1-3H3,(H,22,26)(H,23,27)
InChIKeyNUNZKRMULKNIFB-UHFFFAOYSA-N
XLogP2.26
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.93
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(azepan-1-yl)-N-(5-chloro-2-methylphenyl)propanamide
CID 9249952
(2R)-2-(azocan-1-yl)-N-(5-chloro-2-methylphenyl)propanamide
CID 9460529
1-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 119908247
(2S)-N-(5-chloro-2-methylphenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]propanamide
CID 9442745
(2R)-N-(5-chloro-2-methylphenyl)-2-[4-(2-chlorophenyl)piperazin-1-yl]propanamide
CID 9445035
(2S)-N-(5-chloro-2-methylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide
CID 9275606
(2R)-N-(5-chloro-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 9431500
(2R)-N-(5-chloro-2-methylphenyl)-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]propanamide
CID 97070928
N-(5-chloro-2-methylphenyl)-2-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]propanamide
CID 24507499
N-(5-chloro-2-methylphenyl)-2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 55430844
(2S)-N-(2,5-dichlorophenyl)-2-(4-methylpiperidin-1-yl)propanamide
CID 2690347
N-[[(3S)-1-[(2R)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]piperidin-3-yl]methyl]-2-methylpropanamide
CID 100855812

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]piperazin-1-yl]-N-cyclopropylpropanamide?
The IUPAC name of 2-[4-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]piperazin-1-yl]-N-cyclopropylpropanamide (CID 46681683) is 2-[4-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]piperazin-1-yl]-N-cyclopropylpropanamide.
What is the SMILES notation for 2-[4-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]piperazin-1-yl]-N-cyclopropylpropanamide?
The canonical SMILES for 2-[4-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]piperazin-1-yl]-N-cyclopropylpropanamide is Cc1ccc(Cl)cc1NC(=O)C(C)N1CCN(C(C)C(=O)NC2CC2)CC1.
What is the InChIKey of 2-[4-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]piperazin-1-yl]-N-cyclopropylpropanamide?
The InChIKey is NUNZKRMULKNIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29ClN4O2/c1-13-4-5-16(21)12-18(13)23-20(27)15(3)25-10-8-24(9-11-25)14(2)19(26)22-17-6-7-17/h4-5,12,14-15,17H,6-11H2,1-3H3,(H,22,26)(H,23,27).
What are the key properties of 2-[4-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]piperazin-1-yl]-N-cyclopropylpropanamide?
2-[4-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]piperazin-1-yl]-N-cyclopropylpropanamide has a molecular weight of 392.93 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]piperazin-1-yl]-N-cyclopropylpropanamide is sourced from PubChem (CID 46681683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).