N-[6-[4-(4-methylbenzoyl)piperazin-1-yl]-3-pyridinyl]benzamide

C24H24N4O2 — CID 42849983

IUPACN-[6-[4-(4-methylbenzoyl)piperazin-1-yl]-3-pyridinyl]benzamide
SMILESCc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccccc4)cn3)CC2)cc1
InChIInChI=1S/C24H24N4O2/c1-18-7-9-20(10-8-18)24(30)28-15-13-27(14-16-28)22-12-11-21(17-25-22)26-23(29)19-5-3-2-4-6-19/h2-12,17H,13-16H2,1H3,(H,26,29)
InChIKeyWLHGRCWVUDANEY-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.60
Rot. Bonds4

About N-[6-[4-(4-methylbenzoyl)piperazin-1-yl]-3-pyridinyl]benzamide

N-[6-[4-(4-methylbenzoyl)piperazin-1-yl]-3-pyridinyl]benzamide (PubChem CID 42849983) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-[6-[4-(4-methylbenzoyl)piperazin-1-yl]-3-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[6-[4-(4-methylbenzoyl)piperazin-1-yl]-3-pyridinyl]benzamide
PubChem CID42849983
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC NameN-[6-[4-(4-methylbenzoyl)piperazin-1-yl]-3-pyridinyl]benzamide
SMILESCc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccccc4)cn3)CC2)cc1
InChIInChI=1S/C24H24N4O2/c1-18-7-9-20(10-8-18)24(30)28-15-13-27(14-16-28)22-12-11-21(17-25-22)26-23(29)19-5-3-2-4-6-19/h2-12,17H,13-16H2,1H3,(H,26,29)
InChIKeyWLHGRCWVUDANEY-UHFFFAOYSA-N
XLogP3.60
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-[4-(2-methoxybenzoyl)piperazin-1-yl]-3-pyridinyl]-4-methylbenzamide
CID 46041984
N-[6-[4-(2-fluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-4-methylbenzamide
CID 46041978
N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-4-methylbenzamide
CID 46041971
N-[6-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 46041970
N-[6-(4-benzoylpiperazin-1-yl)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 42850096
2,4-difluoro-N-[6-[4-(4-methylbenzoyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 46041854
6-[4-(4-methylbenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 83971599
N-[6-(4-benzoyl-1,4-diazepan-1-yl)-3-pyridinyl]-2-fluorobenzamide
CID 46053170
ethyl 5-[4-[5-[(4-methylbenzoyl)amino]-2-pyridinyl]piperazin-1-yl]-5-oxopentanoate
CID 46084352
N-[6-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)benzamide
CID 46041909
4-methyl-N-[6-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide
CID 42857364
N-[6-[4-(3-bromobenzoyl)-1,4-diazepan-1-yl]-3-pyridinyl]-4-tert-butylbenzamide
CID 42856918

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(4-methylbenzoyl)piperazin-1-yl]-3-pyridinyl]benzamide?
The IUPAC name of N-[6-[4-(4-methylbenzoyl)piperazin-1-yl]-3-pyridinyl]benzamide (CID 42849983) is N-[6-[4-(4-methylbenzoyl)piperazin-1-yl]-3-pyridinyl]benzamide.
What is the SMILES notation for N-[6-[4-(4-methylbenzoyl)piperazin-1-yl]-3-pyridinyl]benzamide?
The canonical SMILES for N-[6-[4-(4-methylbenzoyl)piperazin-1-yl]-3-pyridinyl]benzamide is Cc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccccc4)cn3)CC2)cc1.
What is the InChIKey of N-[6-[4-(4-methylbenzoyl)piperazin-1-yl]-3-pyridinyl]benzamide?
The InChIKey is WLHGRCWVUDANEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-18-7-9-20(10-8-18)24(30)28-15-13-27(14-16-28)22-12-11-21(17-25-22)26-23(29)19-5-3-2-4-6-19/h2-12,17H,13-16H2,1H3,(H,26,29).
What are the key properties of N-[6-[4-(4-methylbenzoyl)piperazin-1-yl]-3-pyridinyl]benzamide?
N-[6-[4-(4-methylbenzoyl)piperazin-1-yl]-3-pyridinyl]benzamide has a molecular weight of 400.48 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(4-methylbenzoyl)piperazin-1-yl]-3-pyridinyl]benzamide is sourced from PubChem (CID 42849983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).