N-[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]propanamide

C21H24ClN3O2 — CID 4301255

IUPACN-[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3C)CC2)c(Cl)c1
InChIInChI=1S/C21H24ClN3O2/c1-3-20(26)23-16-8-9-19(18(22)14-16)24-10-12-25(13-11-24)21(27)17-7-5-4-6-15(17)2/h4-9,14H,3,10-13H2,1-2H3,(H,23,26)
InChIKeyBJUGRPUWRJDSEV-UHFFFAOYSA-N
MW385.90 g/mol
LogP3.96
Rot. Bonds4

About N-[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]propanamide

N-[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]propanamide (PubChem CID 4301255) has the molecular formula C21H24ClN3O2 and a molecular weight of 385.90 g/mol. Its IUPAC name is N-[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]propanamide
PubChem CID4301255
Molecular FormulaC21H24ClN3O2
Molecular Weight385.90 g/mol
Exact Mass385.16
IUPAC NameN-[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3C)CC2)c(Cl)c1
InChIInChI=1S/C21H24ClN3O2/c1-3-20(26)23-16-8-9-19(18(22)14-16)24-10-12-25(13-11-24)21(27)17-7-5-4-6-15(17)2/h4-9,14H,3,10-13H2,1-2H3,(H,23,26)
InChIKeyBJUGRPUWRJDSEV-UHFFFAOYSA-N
XLogP3.96
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]acetamide
CID 6461156
N-[[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]butanamide
CID 3633736
N-[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]-4-ethylbenzamide
CID 3887494
N-[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]-2-(2,4-dichloro-6-methylphenoxy)acetamide
CID 43914368
N-[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]-2,2-diphenylacetamide
CID 3462669
2-chloro-N-[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]-5-iodobenzamide
CID 4224455
N-[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]-4-methoxybenzamide
CID 3888477
N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 2996154
N-[[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-2-methylbenzamide
CID 17109997
5-chloro-N-[[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]naphthalene-1-carboxamide
CID 3282884
N-[[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-3-methylbenzamide
CID 3334564
2-(4-bromophenoxy)-N-[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]-2-methylpropanamide
CID 17099124

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]propanamide?
The IUPAC name of N-[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]propanamide (CID 4301255) is N-[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]propanamide.
What is the SMILES notation for N-[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]propanamide?
The canonical SMILES for N-[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]propanamide is CCC(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3C)CC2)c(Cl)c1.
What is the InChIKey of N-[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]propanamide?
The InChIKey is BJUGRPUWRJDSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O2/c1-3-20(26)23-16-8-9-19(18(22)14-16)24-10-12-25(13-11-24)21(27)17-7-5-4-6-15(17)2/h4-9,14H,3,10-13H2,1-2H3,(H,23,26).
What are the key properties of N-[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]propanamide?
N-[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]propanamide has a molecular weight of 385.90 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]propanamide is sourced from PubChem (CID 4301255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).