(3-aminopiperidin-1-yl)-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methanone;hydrochloride

C16H21ClN4O2 — CID 119378470

IUPAC(3-aminopiperidin-1-yl)-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methanone;hydrochloride
SMILESCOc1ccc(-c2[nH]ncc2C(=O)N2CCCC(N)C2)cc1.Cl
InChIInChI=1S/C16H20N4O2.ClH/c1-22-13-6-4-11(5-7-13)15-14(9-18-19-15)16(21)20-8-2-3-12(17)10-20;/h4-7,9,12H,2-3,8,10,17H2,1H3,(H,18,19);1H
InChIKeyCKZHMWQLVHBQJL-UHFFFAOYSA-N
MW336.82 g/mol
LogP2.07
Rot. Bonds3

About (3-aminopiperidin-1-yl)-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methanone;hydrochloride

(3-aminopiperidin-1-yl)-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methanone;hydrochloride (PubChem CID 119378470) has the molecular formula C16H21ClN4O2 and a molecular weight of 336.82 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(3-aminopiperidin-1-yl)-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methanone;hydrochloride
PubChem CID119378470
Molecular FormulaC16H21ClN4O2
Molecular Weight336.82 g/mol
Exact Mass336.14
IUPAC Name(3-aminopiperidin-1-yl)-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methanone;hydrochloride
SMILESCOc1ccc(-c2[nH]ncc2C(=O)N2CCCC(N)C2)cc1.Cl
InChIInChI=1S/C16H20N4O2.ClH/c1-22-13-6-4-11(5-7-13)15-14(9-18-19-15)16(21)20-8-2-3-12(17)10-20;/h4-7,9,12H,2-3,8,10,17H2,1H3,(H,18,19);1H
InChIKeyCKZHMWQLVHBQJL-UHFFFAOYSA-N
XLogP2.07
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119489278
3-[(3R)-1-[5-(4-methoxyphenyl)-1H-pyrazole-4-carbonyl]piperidin-3-yl]propanoic acid
CID 124689327
[3-(1-aminoethyl)piperidin-1-yl]-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methanone
CID 119593887
(3-ethylazetidin-1-yl)-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methanone
CID 167850096
3,9-diazabicyclo[4.2.1]nonan-3-yl-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methanone
CID 119636197
1-[5-(4-methoxyphenyl)-1H-pyrazole-4-carbonyl]-5-methylpiperidine-3-carboxylic acid
CID 122119923
[3-(methylaminomethyl)piperidin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone;hydrochloride
CID 119395429
(3-aminopiperidin-1-yl)-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]methanone
CID 119380053
(4-aminopiperidin-1-yl)-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanone
CID 139023916
(4-aminopiperidin-1-yl)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone;hydrochloride
CID 119376653
[(3S)-3-ethoxypiperidin-1-yl]-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone
CID 95584023
N-[[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazole-4-carbonyl]piperidin-3-yl]methyl]methanesulfonamide
CID 51964813

Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methanone;hydrochloride?
The IUPAC name of (3-aminopiperidin-1-yl)-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methanone;hydrochloride (CID 119378470) is (3-aminopiperidin-1-yl)-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methanone;hydrochloride.
What is the SMILES notation for (3-aminopiperidin-1-yl)-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methanone;hydrochloride?
The canonical SMILES for (3-aminopiperidin-1-yl)-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methanone;hydrochloride is COc1ccc(-c2[nH]ncc2C(=O)N2CCCC(N)C2)cc1.Cl.
What is the InChIKey of (3-aminopiperidin-1-yl)-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methanone;hydrochloride?
The InChIKey is CKZHMWQLVHBQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2.ClH/c1-22-13-6-4-11(5-7-13)15-14(9-18-19-15)16(21)20-8-2-3-12(17)10-20;/h4-7,9,12H,2-3,8,10,17H2,1H3,(H,18,19);1H.
What are the key properties of (3-aminopiperidin-1-yl)-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methanone;hydrochloride?
(3-aminopiperidin-1-yl)-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methanone;hydrochloride has a molecular weight of 336.82 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopiperidin-1-yl)-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methanone;hydrochloride is sourced from PubChem (CID 119378470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).