1-(4-benzylpiperidin-1-yl)-2-(5-piperidin-3-ylpyrazol-1-yl)ethanone;hydrochloride

C22H31ClN4O — CID 154903726

IUPAC1-(4-benzylpiperidin-1-yl)-2-(5-piperidin-3-ylpyrazol-1-yl)ethanone;hydrochloride
SMILESCl.O=C(Cn1nccc1C1CCCNC1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C22H30N4O.ClH/c27-22(17-26-21(8-12-24-26)20-7-4-11-23-16-20)25-13-9-19(10-14-25)15-18-5-2-1-3-6-18;/h1-3,5-6,8,12,19-20,23H,4,7,9-11,13-17H2;1H
InChIKeyNQDRJZXBVNMBQW-UHFFFAOYSA-N
MW402.97 g/mol
LogP3.25
Rot. Bonds5

About 1-(4-benzylpiperidin-1-yl)-2-(5-piperidin-3-ylpyrazol-1-yl)ethanone;hydrochloride

1-(4-benzylpiperidin-1-yl)-2-(5-piperidin-3-ylpyrazol-1-yl)ethanone;hydrochloride (PubChem CID 154903726) has the molecular formula C22H31ClN4O and a molecular weight of 402.97 g/mol. Its IUPAC name is 1-(4-benzylpiperidin-1-yl)-2-(5-piperidin-3-ylpyrazol-1-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name1-(4-benzylpiperidin-1-yl)-2-(5-piperidin-3-ylpyrazol-1-yl)ethanone;hydrochloride
PubChem CID154903726
Molecular FormulaC22H31ClN4O
Molecular Weight402.97 g/mol
Exact Mass402.22
IUPAC Name1-(4-benzylpiperidin-1-yl)-2-(5-piperidin-3-ylpyrazol-1-yl)ethanone;hydrochloride
SMILESCl.O=C(Cn1nccc1C1CCCNC1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C22H30N4O.ClH/c27-22(17-26-21(8-12-24-26)20-7-4-11-23-16-20)25-13-9-19(10-14-25)15-18-5-2-1-3-6-18;/h1-3,5-6,8,12,19-20,23H,4,7,9-11,13-17H2;1H
InChIKeyNQDRJZXBVNMBQW-UHFFFAOYSA-N
XLogP3.25
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.97
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-benzylpiperidin-1-yl)-2-(5-piperidin-3-ylpyrazol-1-yl)ethanone;hydrochloride with MolForge

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Related Compounds

1-(4-phenylmethoxypiperidin-1-yl)-2-(5-piperidin-3-ylpyrazol-1-yl)ethanone;hydrochloride
CID 154906009
1-(azocan-1-yl)-2-(5-piperidin-3-ylpyrazol-1-yl)ethanone;hydrochloride
CID 154903731
2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]-1-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone
CID 126453918
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-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone
CID 126453998
3-(2-benzylpyrazol-3-yl)piperidine
CID 83392632
N-benzyl-N-ethyl-2-(5-piperidin-3-ylpyrazol-1-yl)acetamide
CID 119069345
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-benzylpiperidin-1-yl)-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119671893
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
1-(4-benzylpiperidin-1-yl)-3-piperidin-3-ylbutan-1-one
CID 119671894

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperidin-1-yl)-2-(5-piperidin-3-ylpyrazol-1-yl)ethanone;hydrochloride?
The IUPAC name of 1-(4-benzylpiperidin-1-yl)-2-(5-piperidin-3-ylpyrazol-1-yl)ethanone;hydrochloride (CID 154903726) is 1-(4-benzylpiperidin-1-yl)-2-(5-piperidin-3-ylpyrazol-1-yl)ethanone;hydrochloride.
What is the SMILES notation for 1-(4-benzylpiperidin-1-yl)-2-(5-piperidin-3-ylpyrazol-1-yl)ethanone;hydrochloride?
The canonical SMILES for 1-(4-benzylpiperidin-1-yl)-2-(5-piperidin-3-ylpyrazol-1-yl)ethanone;hydrochloride is Cl.O=C(Cn1nccc1C1CCCNC1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-benzylpiperidin-1-yl)-2-(5-piperidin-3-ylpyrazol-1-yl)ethanone;hydrochloride?
The InChIKey is NQDRJZXBVNMBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O.ClH/c27-22(17-26-21(8-12-24-26)20-7-4-11-23-16-20)25-13-9-19(10-14-25)15-18-5-2-1-3-6-18;/h1-3,5-6,8,12,19-20,23H,4,7,9-11,13-17H2;1H.
What are the key properties of 1-(4-benzylpiperidin-1-yl)-2-(5-piperidin-3-ylpyrazol-1-yl)ethanone;hydrochloride?
1-(4-benzylpiperidin-1-yl)-2-(5-piperidin-3-ylpyrazol-1-yl)ethanone;hydrochloride has a molecular weight of 402.97 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperidin-1-yl)-2-(5-piperidin-3-ylpyrazol-1-yl)ethanone;hydrochloride is sourced from PubChem (CID 154903726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).