N-[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]-5-methylpyrazine-2-carboxamide

C26H29N5O2 — CID 1031758

IUPACN-[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NCCC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cn1
InChIInChI=1S/C26H29N5O2/c1-20-18-29-23(19-28-20)26(33)27-13-12-24(32)30-14-16-31(17-15-30)25(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-11,18-19,25H,12-17H2,1H3,(H,27,33)
InChIKeyJMZSKXOKXLPAKQ-UHFFFAOYSA-N
MW443.55 g/mol
LogP2.84
Rot. Bonds7

About N-[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]-5-methylpyrazine-2-carboxamide

N-[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]-5-methylpyrazine-2-carboxamide (PubChem CID 1031758) has the molecular formula C26H29N5O2 and a molecular weight of 443.55 g/mol. Its IUPAC name is N-[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]-5-methylpyrazine-2-carboxamide
PubChem CID1031758
Molecular FormulaC26H29N5O2
Molecular Weight443.55 g/mol
Exact Mass443.23
IUPAC NameN-[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NCCC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cn1
InChIInChI=1S/C26H29N5O2/c1-20-18-29-23(19-28-20)26(33)27-13-12-24(32)30-14-16-31(17-15-30)25(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-11,18-19,25H,12-17H2,1H3,(H,27,33)
InChIKeyJMZSKXOKXLPAKQ-UHFFFAOYSA-N
XLogP2.84
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]-4-methylbenzamide
CID 2977263
N-[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]-N-benzyl-5-methylpyrazine-2-carboxamide
CID 1026333
5-methyl-N-[3-oxo-3-(1-phenylethylamino)propyl]pyrazine-2-carboxamide
CID 42783473
N-(3-hydroxy-3-phenylpropyl)-5-methylpyrazine-2-carboxamide
CID 111471624
5-methyl-N-(2-phenylpropyl)pyrazine-2-carboxamide
CID 18209356
1-(4-benzhydrylpiperazin-1-yl)-4,4-diphenylbutan-1-one
CID 11842614
N-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 29263072
1-(4-benzhydrylpiperazin-1-yl)-3-phenylpropan-1-one
CID 2849742
1-(4-benzhydrylpiperazin-1-yl)-4-phenoxybutan-1-one
CID 2944402
1-(4-benzhydrylpiperazin-1-yl)-2-bromoethanone
CID 86008397
1-(4-acetylpiperazin-1-yl)-3-(1-phenylethylamino)propan-1-one
CID 109018108
N-[3-oxo-3-[4-(pyridine-2-carbonyl)piperazin-1-yl]propyl]pyridine-2-carboxamide
CID 75395596

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]-5-methylpyrazine-2-carboxamide (CID 1031758) is N-[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]-5-methylpyrazine-2-carboxamide is Cc1cnc(C(=O)NCCC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cn1.
What is the InChIKey of N-[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]-5-methylpyrazine-2-carboxamide?
The InChIKey is JMZSKXOKXLPAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O2/c1-20-18-29-23(19-28-20)26(33)27-13-12-24(32)30-14-16-31(17-15-30)25(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-11,18-19,25H,12-17H2,1H3,(H,27,33).
What are the key properties of N-[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]-5-methylpyrazine-2-carboxamide?
N-[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]-5-methylpyrazine-2-carboxamide has a molecular weight of 443.55 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 1031758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).