N-(3-chloro-2-methylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide

C18H26ClN3O2 — CID 46563154

IUPACN-(3-chloro-2-methylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide
SMILESCc1c(Cl)cccc1NC(=O)C(C)N1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C18H26ClN3O2/c1-12(2)18(24)22-10-8-21(9-11-22)14(4)17(23)20-16-7-5-6-15(19)13(16)3/h5-7,12,14H,8-11H2,1-4H3,(H,20,23)
InChIKeyITJRDSNECIXWHQ-UHFFFAOYSA-N
MW351.88 g/mol
LogP2.78
Rot. Bonds4

About N-(3-chloro-2-methylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide

N-(3-chloro-2-methylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide (PubChem CID 46563154) has the molecular formula C18H26ClN3O2 and a molecular weight of 351.88 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide
PubChem CID46563154
Molecular FormulaC18H26ClN3O2
Molecular Weight351.88 g/mol
Exact Mass351.17
IUPAC NameN-(3-chloro-2-methylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide
SMILESCc1c(Cl)cccc1NC(=O)C(C)N1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C18H26ClN3O2/c1-12(2)18(24)22-10-8-21(9-11-22)14(4)17(23)20-16-7-5-6-15(19)13(16)3/h5-7,12,14H,8-11H2,1-4H3,(H,20,23)
InChIKeyITJRDSNECIXWHQ-UHFFFAOYSA-N
XLogP2.78
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.88
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorophenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide
CID 18094405
2-(4-benzoylpiperazin-1-yl)-N-(3-chloro-2-methylphenyl)propanamide
CID 18094234
N-(3-chloro-2-methylphenyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propanamide
CID 55682346
1-[(2S)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 9443547
N-(3-chloro-2-methylphenyl)-2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]propanamide
CID 86879435
N-(3-chloro-2-methylphenyl)-2-methylpropanamide
CID 2057455
2-[4-(2-methylpropanoyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 46563153
2-(4-benzoylpiperazin-1-yl)-N-(2-chlorophenyl)propanamide
CID 18094231
(2R)-N-(3-chloro-2-methylphenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propanamide
CID 9430806
(2S)-N-(3-chloro-2-methylphenyl)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]propanamide
CID 30740476
N-(3-chloro-2-methylphenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 46630775
N-(3-chloro-2-methylphenyl)-2-(4-pentylsulfonylpiperazin-1-yl)propanamide
CID 86936966

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide (CID 46563154) is N-(3-chloro-2-methylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide is Cc1c(Cl)cccc1NC(=O)C(C)N1CCN(C(=O)C(C)C)CC1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide?
The InChIKey is ITJRDSNECIXWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3O2/c1-12(2)18(24)22-10-8-21(9-11-22)14(4)17(23)20-16-7-5-6-15(19)13(16)3/h5-7,12,14H,8-11H2,1-4H3,(H,20,23).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide?
N-(3-chloro-2-methylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide has a molecular weight of 351.88 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 46563154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).