2-(5-piperidin-3-ylpyrazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide;dihydrochloride

C16H23Cl2N5O — CID 154905968

IUPAC2-(5-piperidin-3-ylpyrazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide;dihydrochloride
SMILESCl.Cl.O=C(Cn1nccc1C1CCCNC1)NCc1cccnc1
InChIInChI=1S/C16H21N5O.2ClH/c22-16(19-10-13-3-1-6-17-9-13)12-21-15(5-8-20-21)14-4-2-7-18-11-14;;/h1,3,5-6,8-9,14,18H,2,4,7,10-12H2,(H,19,22);2*1H
InChIKeyVGIHPXXDJHWAIN-UHFFFAOYSA-N
MW372.30 g/mol
LogP1.91
Rot. Bonds5

About 2-(5-piperidin-3-ylpyrazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide;dihydrochloride

2-(5-piperidin-3-ylpyrazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide;dihydrochloride (PubChem CID 154905968) has the molecular formula C16H23Cl2N5O and a molecular weight of 372.30 g/mol. Its IUPAC name is 2-(5-piperidin-3-ylpyrazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-(5-piperidin-3-ylpyrazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide;dihydrochloride
PubChem CID154905968
Molecular FormulaC16H23Cl2N5O
Molecular Weight372.30 g/mol
Exact Mass371.13
IUPAC Name2-(5-piperidin-3-ylpyrazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide;dihydrochloride
SMILESCl.Cl.O=C(Cn1nccc1C1CCCNC1)NCc1cccnc1
InChIInChI=1S/C16H21N5O.2ClH/c22-16(19-10-13-3-1-6-17-9-13)12-21-15(5-8-20-21)14-4-2-7-18-11-14;;/h1,3,5-6,8-9,14,18H,2,4,7,10-12H2,(H,19,22);2*1H
InChIKeyVGIHPXXDJHWAIN-UHFFFAOYSA-N
XLogP1.91
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.30
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]-N-(2-pyridin-3-ylethyl)acetamide
CID 126437725
2-(5-piperidin-3-ylpyrazol-1-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide;hydrochloride
CID 154905162
N-(1,3-benzodioxol-5-ylmethyl)-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126452488
2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 126443982
2-piperidin-3-yl-N-(pyridin-3-ylmethyl)acetamide
CID 62675411
N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126428114
N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126428113
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126430454
N-(2-piperidin-1-ylethyl)-2-(5-piperidin-3-ylpyrazol-1-yl)acetamide
CID 119074986
N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]-2-(5-piperidin-3-ylpyrazol-1-yl)acetamide;hydrochloride
CID 154903889
N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126449343
4-fluoro-N-[2-[[2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetyl]amino]ethyl]benzamide
CID 126431022

Frequently Asked Questions

What is the IUPAC name of 2-(5-piperidin-3-ylpyrazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide;dihydrochloride?
The IUPAC name of 2-(5-piperidin-3-ylpyrazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide;dihydrochloride (CID 154905968) is 2-(5-piperidin-3-ylpyrazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide;dihydrochloride.
What is the SMILES notation for 2-(5-piperidin-3-ylpyrazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide;dihydrochloride?
The canonical SMILES for 2-(5-piperidin-3-ylpyrazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide;dihydrochloride is Cl.Cl.O=C(Cn1nccc1C1CCCNC1)NCc1cccnc1.
What is the InChIKey of 2-(5-piperidin-3-ylpyrazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide;dihydrochloride?
The InChIKey is VGIHPXXDJHWAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O.2ClH/c22-16(19-10-13-3-1-6-17-9-13)12-21-15(5-8-20-21)14-4-2-7-18-11-14;;/h1,3,5-6,8-9,14,18H,2,4,7,10-12H2,(H,19,22);2*1H.
What are the key properties of 2-(5-piperidin-3-ylpyrazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide;dihydrochloride?
2-(5-piperidin-3-ylpyrazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide;dihydrochloride has a molecular weight of 372.30 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-piperidin-3-ylpyrazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide;dihydrochloride is sourced from PubChem (CID 154905968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).