1-(azocan-1-yl)-2-(5-piperidin-3-ylpyrazol-1-yl)ethanone;hydrochloride

C17H29ClN4O — CID 154903731

IUPAC1-(azocan-1-yl)-2-(5-piperidin-3-ylpyrazol-1-yl)ethanone;hydrochloride
SMILESCl.O=C(Cn1nccc1C1CCCNC1)N1CCCCCCC1
InChIInChI=1S/C17H28N4O.ClH/c22-17(20-11-4-2-1-3-5-12-20)14-21-16(8-10-19-21)15-7-6-9-18-13-15;/h8,10,15,18H,1-7,9,11-14H2;1H
InChIKeyGZQZZGZHGPVIHZ-UHFFFAOYSA-N
MW340.90 g/mol
LogP2.56
Rot. Bonds3

About 1-(azocan-1-yl)-2-(5-piperidin-3-ylpyrazol-1-yl)ethanone;hydrochloride

1-(azocan-1-yl)-2-(5-piperidin-3-ylpyrazol-1-yl)ethanone;hydrochloride (PubChem CID 154903731) has the molecular formula C17H29ClN4O and a molecular weight of 340.90 g/mol. Its IUPAC name is 1-(azocan-1-yl)-2-(5-piperidin-3-ylpyrazol-1-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name1-(azocan-1-yl)-2-(5-piperidin-3-ylpyrazol-1-yl)ethanone;hydrochloride
PubChem CID154903731
Molecular FormulaC17H29ClN4O
Molecular Weight340.90 g/mol
Exact Mass340.20
IUPAC Name1-(azocan-1-yl)-2-(5-piperidin-3-ylpyrazol-1-yl)ethanone;hydrochloride
SMILESCl.O=C(Cn1nccc1C1CCCNC1)N1CCCCCCC1
InChIInChI=1S/C17H28N4O.ClH/c22-17(20-11-4-2-1-3-5-12-20)14-21-16(8-10-19-21)15-7-6-9-18-13-15;/h8,10,15,18H,1-7,9,11-14H2;1H
InChIKeyGZQZZGZHGPVIHZ-UHFFFAOYSA-N
XLogP2.56
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.90
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(azepan-1-yl)-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]ethanone
CID 126426759
2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone
CID 126448053
2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]-1-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone
CID 126453918
1-(4-benzylpiperidin-1-yl)-2-(5-piperidin-3-ylpyrazol-1-yl)ethanone;hydrochloride
CID 154903726
1-(4-phenylmethoxypiperidin-1-yl)-2-(5-piperidin-3-ylpyrazol-1-yl)ethanone;hydrochloride
CID 154906009
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]ethanone
CID 126428052
1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]ethanone
CID 126429636
2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]-1-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone
CID 126453998
N-(2-piperidin-1-ylethyl)-2-(5-piperidin-3-ylpyrazol-1-yl)acetamide
CID 119074986
N-benzyl-N-ethyl-2-(5-piperidin-3-ylpyrazol-1-yl)acetamide
CID 119069345
2-(5-piperidin-3-ylpyrazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide;dihydrochloride
CID 154905968
N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]-2-(5-piperidin-3-ylpyrazol-1-yl)acetamide;hydrochloride
CID 154903889

Frequently Asked Questions

What is the IUPAC name of 1-(azocan-1-yl)-2-(5-piperidin-3-ylpyrazol-1-yl)ethanone;hydrochloride?
The IUPAC name of 1-(azocan-1-yl)-2-(5-piperidin-3-ylpyrazol-1-yl)ethanone;hydrochloride (CID 154903731) is 1-(azocan-1-yl)-2-(5-piperidin-3-ylpyrazol-1-yl)ethanone;hydrochloride.
What is the SMILES notation for 1-(azocan-1-yl)-2-(5-piperidin-3-ylpyrazol-1-yl)ethanone;hydrochloride?
The canonical SMILES for 1-(azocan-1-yl)-2-(5-piperidin-3-ylpyrazol-1-yl)ethanone;hydrochloride is Cl.O=C(Cn1nccc1C1CCCNC1)N1CCCCCCC1.
What is the InChIKey of 1-(azocan-1-yl)-2-(5-piperidin-3-ylpyrazol-1-yl)ethanone;hydrochloride?
The InChIKey is GZQZZGZHGPVIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O.ClH/c22-17(20-11-4-2-1-3-5-12-20)14-21-16(8-10-19-21)15-7-6-9-18-13-15;/h8,10,15,18H,1-7,9,11-14H2;1H.
What are the key properties of 1-(azocan-1-yl)-2-(5-piperidin-3-ylpyrazol-1-yl)ethanone;hydrochloride?
1-(azocan-1-yl)-2-(5-piperidin-3-ylpyrazol-1-yl)ethanone;hydrochloride has a molecular weight of 340.90 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azocan-1-yl)-2-(5-piperidin-3-ylpyrazol-1-yl)ethanone;hydrochloride is sourced from PubChem (CID 154903731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).