1-(4-aminopiperidin-1-yl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethanone;hydrochloride

C18H25ClN4O — CID 119376663

IUPAC1-(4-aminopiperidin-1-yl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethanone;hydrochloride
SMILESCc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCC(N)CC1.Cl
InChIInChI=1S/C18H24N4O.ClH/c1-13-17(12-18(23)21-10-8-15(19)9-11-21)14(2)22(20-13)16-6-4-3-5-7-16;/h3-7,15H,8-12,19H2,1-2H3;1H
InChIKeyGGZAVGGZKVZIEV-UHFFFAOYSA-N
MW348.88 g/mol
LogP2.40
Rot. Bonds3

About 1-(4-aminopiperidin-1-yl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethanone;hydrochloride

1-(4-aminopiperidin-1-yl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethanone;hydrochloride (PubChem CID 119376663) has the molecular formula C18H25ClN4O and a molecular weight of 348.88 g/mol. Its IUPAC name is 1-(4-aminopiperidin-1-yl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name1-(4-aminopiperidin-1-yl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethanone;hydrochloride
PubChem CID119376663
Molecular FormulaC18H25ClN4O
Molecular Weight348.88 g/mol
Exact Mass348.17
IUPAC Name1-(4-aminopiperidin-1-yl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethanone;hydrochloride
SMILESCc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCC(N)CC1.Cl
InChIInChI=1S/C18H24N4O.ClH/c1-13-17(12-18(23)21-10-8-15(19)9-11-21)14(2)22(20-13)16-6-4-3-5-7-16;/h3-7,15H,8-12,19H2,1-2H3;1H
InChIKeyGGZAVGGZKVZIEV-UHFFFAOYSA-N
XLogP2.40
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.88
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperidin-1-yl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethanone;hydrochloride?
The IUPAC name of 1-(4-aminopiperidin-1-yl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethanone;hydrochloride (CID 119376663) is 1-(4-aminopiperidin-1-yl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethanone;hydrochloride.
What is the SMILES notation for 1-(4-aminopiperidin-1-yl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethanone;hydrochloride?
The canonical SMILES for 1-(4-aminopiperidin-1-yl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethanone;hydrochloride is Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCC(N)CC1.Cl.
What is the InChIKey of 1-(4-aminopiperidin-1-yl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethanone;hydrochloride?
The InChIKey is GGZAVGGZKVZIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O.ClH/c1-13-17(12-18(23)21-10-8-15(19)9-11-21)14(2)22(20-13)16-6-4-3-5-7-16;/h3-7,15H,8-12,19H2,1-2H3;1H.
What are the key properties of 1-(4-aminopiperidin-1-yl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethanone;hydrochloride?
1-(4-aminopiperidin-1-yl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethanone;hydrochloride has a molecular weight of 348.88 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopiperidin-1-yl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethanone;hydrochloride is sourced from PubChem (CID 119376663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).