[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone

C24H35N5O — CID 24790102

IUPAC[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone
SMILESCCCc1cc(C(=O)N2CCCC(N3CCN(c4ccccc4C)CC3)C2)n(C)n1
InChIInChI=1S/C24H35N5O/c1-4-8-20-17-23(26(3)25-20)24(30)29-12-7-10-21(18-29)27-13-15-28(16-14-27)22-11-6-5-9-19(22)2/h5-6,9,11,17,21H,4,7-8,10,12-16,18H2,1-3H3
InChIKeyTXFWSNAXGHYMGS-UHFFFAOYSA-N
MW409.58 g/mol
LogP3.11
Rot. Bonds5

About [3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone

[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone (PubChem CID 24790102) has the molecular formula C24H35N5O and a molecular weight of 409.58 g/mol. Its IUPAC name is [3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone
PubChem CID24790102
Molecular FormulaC24H35N5O
Molecular Weight409.58 g/mol
Exact Mass409.28
IUPAC Name[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone
SMILESCCCc1cc(C(=O)N2CCCC(N3CCN(c4ccccc4C)CC3)C2)n(C)n1
InChIInChI=1S/C24H35N5O/c1-4-8-20-17-23(26(3)25-20)24(30)29-12-7-10-21(18-29)27-13-15-28(16-14-27)22-11-6-5-9-19(22)2/h5-6,9,11,17,21H,4,7-8,10,12-16,18H2,1-3H3
InChIKeyTXFWSNAXGHYMGS-UHFFFAOYSA-N
XLogP3.11
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.58
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of [3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone?
The IUPAC name of [3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone (CID 24790102) is [3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone.
What is the SMILES notation for [3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone?
The canonical SMILES for [3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone is CCCc1cc(C(=O)N2CCCC(N3CCN(c4ccccc4C)CC3)C2)n(C)n1.
What is the InChIKey of [3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone?
The InChIKey is TXFWSNAXGHYMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O/c1-4-8-20-17-23(26(3)25-20)24(30)29-12-7-10-21(18-29)27-13-15-28(16-14-27)22-11-6-5-9-19(22)2/h5-6,9,11,17,21H,4,7-8,10,12-16,18H2,1-3H3.
What are the key properties of [3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone?
[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone has a molecular weight of 409.58 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone is sourced from PubChem (CID 24790102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).