[3-(3,4-dimethylanilino)piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone

C21H30N4O — CID 24790265

IUPAC[3-(3,4-dimethylanilino)piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone
SMILESCCCc1cc(C(=O)N2CCCC(Nc3ccc(C)c(C)c3)C2)n(C)n1
InChIInChI=1S/C21H30N4O/c1-5-7-18-13-20(24(4)23-18)21(26)25-11-6-8-19(14-25)22-17-10-9-15(2)16(3)12-17/h9-10,12-13,19,22H,5-8,11,14H2,1-4H3
InChIKeyNOLJMTRGZRIKHX-UHFFFAOYSA-N
MW354.50 g/mol
LogP3.71
Rot. Bonds5

About [3-(3,4-dimethylanilino)piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone

[3-(3,4-dimethylanilino)piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone (PubChem CID 24790265) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is [3-(3,4-dimethylanilino)piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name[3-(3,4-dimethylanilino)piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone
PubChem CID24790265
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC Name[3-(3,4-dimethylanilino)piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone
SMILESCCCc1cc(C(=O)N2CCCC(Nc3ccc(C)c(C)c3)C2)n(C)n1
InChIInChI=1S/C21H30N4O/c1-5-7-18-13-20(24(4)23-18)21(26)25-11-6-8-19(14-25)22-17-10-9-15(2)16(3)12-17/h9-10,12-13,19,22H,5-8,11,14H2,1-4H3
InChIKeyNOLJMTRGZRIKHX-UHFFFAOYSA-N
XLogP3.71
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(3,4-dimethylanilino)piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone?
The IUPAC name of [3-(3,4-dimethylanilino)piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone (CID 24790265) is [3-(3,4-dimethylanilino)piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone.
What is the SMILES notation for [3-(3,4-dimethylanilino)piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone?
The canonical SMILES for [3-(3,4-dimethylanilino)piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone is CCCc1cc(C(=O)N2CCCC(Nc3ccc(C)c(C)c3)C2)n(C)n1.
What is the InChIKey of [3-(3,4-dimethylanilino)piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone?
The InChIKey is NOLJMTRGZRIKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O/c1-5-7-18-13-20(24(4)23-18)21(26)25-11-6-8-19(14-25)22-17-10-9-15(2)16(3)12-17/h9-10,12-13,19,22H,5-8,11,14H2,1-4H3.
What are the key properties of [3-(3,4-dimethylanilino)piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone?
[3-(3,4-dimethylanilino)piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone has a molecular weight of 354.50 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,4-dimethylanilino)piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone is sourced from PubChem (CID 24790265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).