N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-2-methylbenzamide

C22H25N3O2 — CID 112502796

IUPACN-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(N2CCN(C(=O)C3CC3)CC2)cc1
InChIInChI=1S/C22H25N3O2/c1-16-4-2-3-5-20(16)21(26)23-18-8-10-19(11-9-18)24-12-14-25(15-13-24)22(27)17-6-7-17/h2-5,8-11,17H,6-7,12-15H2,1H3,(H,23,26)
InChIKeyIKXMONJLPDANCP-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.31
Rot. Bonds4

About N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-2-methylbenzamide

N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-2-methylbenzamide (PubChem CID 112502796) 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]-2-methylbenzamide.

Molecular Properties

Compound NameN-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-2-methylbenzamide
PubChem CID112502796
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(N2CCN(C(=O)C3CC3)CC2)cc1
InChIInChI=1S/C22H25N3O2/c1-16-4-2-3-5-20(16)21(26)23-18-8-10-19(11-9-18)24-12-14-25(15-13-24)22(27)17-6-7-17/h2-5,8-11,17H,6-7,12-15H2,1H3,(H,23,26)
InChIKeyIKXMONJLPDANCP-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

2-methyl-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide
CID 4500933
4-[4-[(2-methylbenzoyl)amino]phenyl]-N-phenylpiperazine-1-carboxamide
CID 1056962
2-bromo-N-[4-[4-(cyclohexanecarbonyl)piperazin-1-yl]phenyl]benzamide
CID 1055999
N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-3-methylbenzamide
CID 112502797
4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(3,4-dimethylphenyl)benzamide
CID 110418111
N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide
CID 1056092
2-methoxy-3-methyl-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide
CID 2948670
2-chloro-N-[4-(4-propanoylpiperazin-1-yl)phenyl]benzamide
CID 1252414
N-[4-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]phenyl]-2-methylbenzamide
CID 6497049
N-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]-2-methylbenzamide
CID 112984204
3,4-dimethyl-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide
CID 4500935
2,3-dimethyl-N-[4-(4-methylpiperidin-1-yl)phenyl]benzamide
CID 60600795

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-2-methylbenzamide?
The IUPAC name of N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-2-methylbenzamide (CID 112502796) is N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-2-methylbenzamide.
What is the SMILES notation for N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-2-methylbenzamide?
The canonical SMILES for N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-2-methylbenzamide is Cc1ccccc1C(=O)Nc1ccc(N2CCN(C(=O)C3CC3)CC2)cc1.
What is the InChIKey of N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-2-methylbenzamide?
The InChIKey is IKXMONJLPDANCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-16-4-2-3-5-20(16)21(26)23-18-8-10-19(11-9-18)24-12-14-25(15-13-24)22(27)17-6-7-17/h2-5,8-11,17H,6-7,12-15H2,1H3,(H,23,26).
What are the key properties of N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-2-methylbenzamide?
N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-2-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]-2-methylbenzamide is sourced from PubChem (CID 112502796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).