(1-ethylpyrazol-4-yl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone

C22H31N5O — CID 24793812

IUPAC(1-ethylpyrazol-4-yl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone
SMILESCCn1cc(C(=O)N2CCCC(N3CCN(c4ccccc4C)CC3)C2)cn1
InChIInChI=1S/C22H31N5O/c1-3-27-16-19(15-23-27)22(28)26-10-6-8-20(17-26)24-11-13-25(14-12-24)21-9-5-4-7-18(21)2/h4-5,7,9,15-16,20H,3,6,8,10-14,17H2,1-2H3
InChIKeyXTEFJVJVVMGMLN-UHFFFAOYSA-N
MW381.52 g/mol
LogP2.64
Rot. Bonds4

About (1-ethylpyrazol-4-yl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone

(1-ethylpyrazol-4-yl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone (PubChem CID 24793812) has the molecular formula C22H31N5O and a molecular weight of 381.52 g/mol. Its IUPAC name is (1-ethylpyrazol-4-yl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-ethylpyrazol-4-yl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone
PubChem CID24793812
Molecular FormulaC22H31N5O
Molecular Weight381.52 g/mol
Exact Mass381.25
IUPAC Name(1-ethylpyrazol-4-yl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone
SMILESCCn1cc(C(=O)N2CCCC(N3CCN(c4ccccc4C)CC3)C2)cn1
InChIInChI=1S/C22H31N5O/c1-3-27-16-19(15-23-27)22(28)26-10-6-8-20(17-26)24-11-13-25(14-12-24)21-9-5-4-7-18(21)2/h4-5,7,9,15-16,20H,3,6,8,10-14,17H2,1-2H3
InChIKeyXTEFJVJVVMGMLN-UHFFFAOYSA-N
XLogP2.64
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-ethylpyrazol-4-yl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone?
The IUPAC name of (1-ethylpyrazol-4-yl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone (CID 24793812) is (1-ethylpyrazol-4-yl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (1-ethylpyrazol-4-yl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for (1-ethylpyrazol-4-yl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone is CCn1cc(C(=O)N2CCCC(N3CCN(c4ccccc4C)CC3)C2)cn1.
What is the InChIKey of (1-ethylpyrazol-4-yl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone?
The InChIKey is XTEFJVJVVMGMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O/c1-3-27-16-19(15-23-27)22(28)26-10-6-8-20(17-26)24-11-13-25(14-12-24)21-9-5-4-7-18(21)2/h4-5,7,9,15-16,20H,3,6,8,10-14,17H2,1-2H3.
What are the key properties of (1-ethylpyrazol-4-yl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone?
(1-ethylpyrazol-4-yl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone has a molecular weight of 381.52 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpyrazol-4-yl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 24793812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).