4-ethyl-N-[1-[2-(4-methylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]benzamide

C26H34N4O2 — CID 46156215

IUPAC4-ethyl-N-[1-[2-(4-methylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]benzamide
SMILESCCc1ccc(C(=O)NC2CCN(c3ccccc3C(=O)N3CCN(C)CC3)CC2)cc1
InChIInChI=1S/C26H34N4O2/c1-3-20-8-10-21(11-9-20)25(31)27-22-12-14-29(15-13-22)24-7-5-4-6-23(24)26(32)30-18-16-28(2)17-19-30/h4-11,22H,3,12-19H2,1-2H3,(H,27,31)
InChIKeyNWKPCGBIVSBKHM-UHFFFAOYSA-N
MW434.58 g/mol
LogP3.04
Rot. Bonds5

About 4-ethyl-N-[1-[2-(4-methylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]benzamide

4-ethyl-N-[1-[2-(4-methylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]benzamide (PubChem CID 46156215) has the molecular formula C26H34N4O2 and a molecular weight of 434.58 g/mol. Its IUPAC name is 4-ethyl-N-[1-[2-(4-methylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name4-ethyl-N-[1-[2-(4-methylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]benzamide
PubChem CID46156215
Molecular FormulaC26H34N4O2
Molecular Weight434.58 g/mol
Exact Mass434.27
IUPAC Name4-ethyl-N-[1-[2-(4-methylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]benzamide
SMILESCCc1ccc(C(=O)NC2CCN(c3ccccc3C(=O)N3CCN(C)CC3)CC2)cc1
InChIInChI=1S/C26H34N4O2/c1-3-20-8-10-21(11-9-20)25(31)27-22-12-14-29(15-13-22)24-7-5-4-6-23(24)26(32)30-18-16-28(2)17-19-30/h4-11,22H,3,12-19H2,1-2H3,(H,27,31)
InChIKeyNWKPCGBIVSBKHM-UHFFFAOYSA-N
XLogP3.04
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.58
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-N-[1-[2-(4-methylpiperidine-1-carbonyl)phenyl]piperidin-4-yl]benzamide
CID 46038111
N-[1-[2-(4-ethylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-4-nitrobenzamide
CID 42848245
N-[1-[2-(4-ethylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-3,5-difluorobenzamide
CID 46037981
N-[1-[2-(4-cyclopentylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-4-methoxybenzamide
CID 46038397
4-(4-ethylphenyl)-N-[(2R)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 54131278
2-methyl-N-[1-[2-(piperidine-1-carbonyl)phenyl]piperidin-4-yl]benzamide
CID 46038031
2-(4-benzamidopiperidin-1-yl)-N-butan-2-ylbenzamide
CID 46037432
N-[1-[2-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]piperidin-4-yl]acetamide
CID 42848348
N-cyclohexyl-4-(4-methylpiperazine-1-carbonyl)benzamide
CID 109044727
N-[1-(4-methylpiperazine-1-carbonyl)piperidin-4-yl]benzamide
CID 11674340
N-(1-carbamimidoylpiperidin-4-yl)-4-ethylbenzamide
CID 70653799
N-[1-[2-(4-cycloheptylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-3-fluorobenzamide
CID 46038445

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[1-[2-(4-methylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]benzamide?
The IUPAC name of 4-ethyl-N-[1-[2-(4-methylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]benzamide (CID 46156215) is 4-ethyl-N-[1-[2-(4-methylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 4-ethyl-N-[1-[2-(4-methylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]benzamide?
The canonical SMILES for 4-ethyl-N-[1-[2-(4-methylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]benzamide is CCc1ccc(C(=O)NC2CCN(c3ccccc3C(=O)N3CCN(C)CC3)CC2)cc1.
What is the InChIKey of 4-ethyl-N-[1-[2-(4-methylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]benzamide?
The InChIKey is NWKPCGBIVSBKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O2/c1-3-20-8-10-21(11-9-20)25(31)27-22-12-14-29(15-13-22)24-7-5-4-6-23(24)26(32)30-18-16-28(2)17-19-30/h4-11,22H,3,12-19H2,1-2H3,(H,27,31).
What are the key properties of 4-ethyl-N-[1-[2-(4-methylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]benzamide?
4-ethyl-N-[1-[2-(4-methylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]benzamide has a molecular weight of 434.58 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[1-[2-(4-methylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 46156215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).