1-(4-benzylpiperazin-1-yl)-3-[1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-3-yl]propan-1-one

C26H37N5O2 — CID 45190289

IUPAC1-(4-benzylpiperazin-1-yl)-3-[1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-3-yl]propan-1-one
SMILESCCn1nc(C)cc1C(=O)N1CCCC(CCC(=O)N2CCN(Cc3ccccc3)CC2)C1
InChIInChI=1S/C26H37N5O2/c1-3-31-24(18-21(2)27-31)26(33)30-13-7-10-23(20-30)11-12-25(32)29-16-14-28(15-17-29)19-22-8-5-4-6-9-22/h4-6,8-9,18,23H,3,7,10-17,19-20H2,1-2H3
InChIKeyOOFBCGWBOLEUBF-UHFFFAOYSA-N
MW451.62 g/mol
LogP3.19
Rot. Bonds7

About 1-(4-benzylpiperazin-1-yl)-3-[1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-3-yl]propan-1-one

1-(4-benzylpiperazin-1-yl)-3-[1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-3-yl]propan-1-one (PubChem CID 45190289) has the molecular formula C26H37N5O2 and a molecular weight of 451.62 g/mol. Its IUPAC name is 1-(4-benzylpiperazin-1-yl)-3-[1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-3-yl]propan-1-one.

Molecular Properties

Compound Name1-(4-benzylpiperazin-1-yl)-3-[1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-3-yl]propan-1-one
PubChem CID45190289
Molecular FormulaC26H37N5O2
Molecular Weight451.62 g/mol
Exact Mass451.29
IUPAC Name1-(4-benzylpiperazin-1-yl)-3-[1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-3-yl]propan-1-one
SMILESCCn1nc(C)cc1C(=O)N1CCCC(CCC(=O)N2CCN(Cc3ccccc3)CC2)C1
InChIInChI=1S/C26H37N5O2/c1-3-31-24(18-21(2)27-31)26(33)30-13-7-10-23(20-30)11-12-25(32)29-16-14-28(15-17-29)19-22-8-5-4-6-9-22/h4-6,8-9,18,23H,3,7,10-17,19-20H2,1-2H3
InChIKeyOOFBCGWBOLEUBF-UHFFFAOYSA-N
XLogP3.19
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.62
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(4-benzylpiperazin-1-yl)-3-[1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-3-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-benzylpiperazin-1-yl)-3-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]propan-1-one
CID 26398707
1-(4-benzylpiperazin-1-yl)-3-(1-propylpiperidin-3-yl)propan-1-one
CID 45196701
1-(4-benzylpiperazin-1-yl)-3-[(3S)-1-(3-methoxybenzoyl)piperidin-3-yl]propan-1-one
CID 25278100
1-(4-benzylpiperazin-1-yl)-3-[1-(cyclopentene-1-carbonyl)piperidin-3-yl]propan-1-one
CID 45205436
1-(4-benzylpiperazin-1-yl)-3-[(3S)-1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-3-yl]propan-1-one
CID 28922251
1-(4-benzylpiperazin-1-yl)-3-[1-[3-(2-methylimidazol-1-yl)propanoyl]piperidin-3-yl]propan-1-one
CID 45184157
1-(4-benzyl-1,4-diazepan-1-yl)-3-cyclopentylpropan-1-one
CID 23768554
1-(4-benzylpiperazin-1-yl)-3-[1-[(2-methylphenyl)methyl]piperidin-3-yl]propan-1-one
CID 45184042
[(3R)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 96571760
1-(4-benzylpiperazin-1-yl)-3-[(3R)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]propan-1-one
CID 28767056
1-(4-benzylpiperazin-1-yl)-3-[1-(pyridin-3-ylmethyl)piperidin-3-yl]propan-1-one
CID 45189885
1-(4-benzylpiperazin-1-yl)-3-[1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]propan-1-one
CID 45188039

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperazin-1-yl)-3-[1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-3-yl]propan-1-one?
The IUPAC name of 1-(4-benzylpiperazin-1-yl)-3-[1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-3-yl]propan-1-one (CID 45190289) is 1-(4-benzylpiperazin-1-yl)-3-[1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-3-yl]propan-1-one.
What is the SMILES notation for 1-(4-benzylpiperazin-1-yl)-3-[1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-3-yl]propan-1-one?
The canonical SMILES for 1-(4-benzylpiperazin-1-yl)-3-[1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-3-yl]propan-1-one is CCn1nc(C)cc1C(=O)N1CCCC(CCC(=O)N2CCN(Cc3ccccc3)CC2)C1.
What is the InChIKey of 1-(4-benzylpiperazin-1-yl)-3-[1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-3-yl]propan-1-one?
The InChIKey is OOFBCGWBOLEUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N5O2/c1-3-31-24(18-21(2)27-31)26(33)30-13-7-10-23(20-30)11-12-25(32)29-16-14-28(15-17-29)19-22-8-5-4-6-9-22/h4-6,8-9,18,23H,3,7,10-17,19-20H2,1-2H3.
What are the key properties of 1-(4-benzylpiperazin-1-yl)-3-[1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-3-yl]propan-1-one?
1-(4-benzylpiperazin-1-yl)-3-[1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-3-yl]propan-1-one has a molecular weight of 451.62 g/mol, XLogP of 3.19, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperazin-1-yl)-3-[1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-3-yl]propan-1-one is sourced from PubChem (CID 45190289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).