N-[3-[4-(3-methoxyphenyl)piperazine-1-carbonyl]pyrazin-2-yl]-4-methylbenzamide

C24H25N5O3 — CID 53166503

IUPACN-[3-[4-(3-methoxyphenyl)piperazine-1-carbonyl]pyrazin-2-yl]-4-methylbenzamide
SMILESCOc1cccc(N2CCN(C(=O)c3nccnc3NC(=O)c3ccc(C)cc3)CC2)c1
InChIInChI=1S/C24H25N5O3/c1-17-6-8-18(9-7-17)23(30)27-22-21(25-10-11-26-22)24(31)29-14-12-28(13-15-29)19-4-3-5-20(16-19)32-2/h3-11,16H,12-15H2,1-2H3,(H,26,27,30)
InChIKeyKQCVYLMSBJHALP-UHFFFAOYSA-N
MW431.50 g/mol
LogP3.01
Rot. Bonds5

About N-[3-[4-(3-methoxyphenyl)piperazine-1-carbonyl]pyrazin-2-yl]-4-methylbenzamide

N-[3-[4-(3-methoxyphenyl)piperazine-1-carbonyl]pyrazin-2-yl]-4-methylbenzamide (PubChem CID 53166503) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is N-[3-[4-(3-methoxyphenyl)piperazine-1-carbonyl]pyrazin-2-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[3-[4-(3-methoxyphenyl)piperazine-1-carbonyl]pyrazin-2-yl]-4-methylbenzamide
PubChem CID53166503
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC NameN-[3-[4-(3-methoxyphenyl)piperazine-1-carbonyl]pyrazin-2-yl]-4-methylbenzamide
SMILESCOc1cccc(N2CCN(C(=O)c3nccnc3NC(=O)c3ccc(C)cc3)CC2)c1
InChIInChI=1S/C24H25N5O3/c1-17-6-8-18(9-7-17)23(30)27-22-21(25-10-11-26-22)24(31)29-14-12-28(13-15-29)19-4-3-5-20(16-19)32-2/h3-11,16H,12-15H2,1-2H3,(H,26,27,30)
InChIKeyKQCVYLMSBJHALP-UHFFFAOYSA-N
XLogP3.01
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenyl]acetamide
CID 9372260
(3,4-dimethylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 51143320
[4-(3-ethoxyphenyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 129043282
[4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenyl]urea
CID 31912991
4-(3-methoxyphenyl)-N-(3-methylphenyl)piperazine-1-carboxamide
CID 16645833
2-[4-(3-methoxyphenyl)piperazin-1-yl]-5-[(4-methylbenzoyl)amino]benzoic acid;2,2,2-trifluoroacetic acid
CID 146060604
(2-chloro-3-pyridinyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 9372250
3,5-dimethoxy-N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]benzamide
CID 2947044
[4-(dimethylamino)phenyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 38574396
1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]sulfanylethanone
CID 50834410
[4-(3-methoxyphenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone
CID 38575552
3-[(4-methoxybenzoyl)amino]-N-[1-(2-methoxybenzoyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 42853875

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(3-methoxyphenyl)piperazine-1-carbonyl]pyrazin-2-yl]-4-methylbenzamide?
The IUPAC name of N-[3-[4-(3-methoxyphenyl)piperazine-1-carbonyl]pyrazin-2-yl]-4-methylbenzamide (CID 53166503) is N-[3-[4-(3-methoxyphenyl)piperazine-1-carbonyl]pyrazin-2-yl]-4-methylbenzamide.
What is the SMILES notation for N-[3-[4-(3-methoxyphenyl)piperazine-1-carbonyl]pyrazin-2-yl]-4-methylbenzamide?
The canonical SMILES for N-[3-[4-(3-methoxyphenyl)piperazine-1-carbonyl]pyrazin-2-yl]-4-methylbenzamide is COc1cccc(N2CCN(C(=O)c3nccnc3NC(=O)c3ccc(C)cc3)CC2)c1.
What is the InChIKey of N-[3-[4-(3-methoxyphenyl)piperazine-1-carbonyl]pyrazin-2-yl]-4-methylbenzamide?
The InChIKey is KQCVYLMSBJHALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-17-6-8-18(9-7-17)23(30)27-22-21(25-10-11-26-22)24(31)29-14-12-28(13-15-29)19-4-3-5-20(16-19)32-2/h3-11,16H,12-15H2,1-2H3,(H,26,27,30).
What are the key properties of N-[3-[4-(3-methoxyphenyl)piperazine-1-carbonyl]pyrazin-2-yl]-4-methylbenzamide?
N-[3-[4-(3-methoxyphenyl)piperazine-1-carbonyl]pyrazin-2-yl]-4-methylbenzamide has a molecular weight of 431.50 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(3-methoxyphenyl)piperazine-1-carbonyl]pyrazin-2-yl]-4-methylbenzamide is sourced from PubChem (CID 53166503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).