N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-3-methylbenzamide

C22H25N3O2 — CID 112502797

IUPACN-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(N3CCN(C(=O)C4CC4)CC3)cc2)c1
InChIInChI=1S/C22H25N3O2/c1-16-3-2-4-18(15-16)21(26)23-19-7-9-20(10-8-19)24-11-13-25(14-12-24)22(27)17-5-6-17/h2-4,7-10,15,17H,5-6,11-14H2,1H3,(H,23,26)
InChIKeyHRTCVIKLFHNYFZ-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.31
Rot. Bonds4

About N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-3-methylbenzamide

N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-3-methylbenzamide (PubChem CID 112502797) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-3-methylbenzamide
PubChem CID112502797
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(N3CCN(C(=O)C4CC4)CC3)cc2)c1
InChIInChI=1S/C22H25N3O2/c1-16-3-2-4-18(15-16)21(26)23-19-7-9-20(10-8-19)24-11-13-25(14-12-24)22(27)17-5-6-17/h2-4,7-10,15,17H,5-6,11-14H2,1H3,(H,23,26)
InChIKeyHRTCVIKLFHNYFZ-UHFFFAOYSA-N
XLogP3.31
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.31
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-[4-(4-butanoylpiperazin-1-yl)phenyl]-3-methylbenzamide
CID 3738760
4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(3,4-dimethylphenyl)benzamide
CID 110418111
3-methyl-N-[4-[4-(3-phenylprop-2-enoyl)piperazin-1-yl]phenyl]benzamide
CID 71951918
N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-2-methylbenzamide
CID 112502796
3-methyl-N-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide
CID 3732443
[4-(3-methylphenyl)piperazin-1-yl]-[4-(morpholine-4-carbonyl)cyclohexyl]methanone
CID 109146784
3-fluoro-N-[4-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]phenyl]benzamide
CID 1057923
N-[4-(azepane-1-carbonyl)phenyl]-3-methylbenzamide
CID 17198989
N-[4-[4-(cyclohexanecarbonyl)piperazin-1-yl]phenyl]-3,5-dimethoxybenzamide
CID 1055982
3-bromo-N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]benzamide
CID 2215467
tert-butyl (2S,5S)-5-[4-[4-[(3-acetamidobenzoyl)amino]phenyl]piperazine-1-carbonyl]-2-methylpiperidine-1-carboxylate
CID 171676270
3-(4-methylpiperidine-1-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 109052385

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-3-methylbenzamide?
The IUPAC name of N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-3-methylbenzamide (CID 112502797) is N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-3-methylbenzamide.
What is the SMILES notation for N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-3-methylbenzamide?
The canonical SMILES for N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-3-methylbenzamide is Cc1cccc(C(=O)Nc2ccc(N3CCN(C(=O)C4CC4)CC3)cc2)c1.
What is the InChIKey of N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-3-methylbenzamide?
The InChIKey is HRTCVIKLFHNYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-16-3-2-4-18(15-16)21(26)23-19-7-9-20(10-8-19)24-11-13-25(14-12-24)22(27)17-5-6-17/h2-4,7-10,15,17H,5-6,11-14H2,1H3,(H,23,26).
What are the key properties of N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-3-methylbenzamide?
N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-3-methylbenzamide has a molecular weight of 363.46 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-3-methylbenzamide is sourced from PubChem (CID 112502797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).