2-(4-phenylpiperidin-1-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)acetamide;dihydrochloride

C20H29Cl2N5O — CID 154897139

IUPAC2-(4-phenylpiperidin-1-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)acetamide;dihydrochloride
SMILESCl.Cl.O=C(CN1CCC(c2ccccc2)CC1)NCc1cc2n(n1)CCNC2
InChIInChI=1S/C20H27N5O.2ClH/c26-20(22-13-18-12-19-14-21-8-11-25(19)23-18)15-24-9-6-17(7-10-24)16-4-2-1-3-5-16;;/h1-5,12,17,21H,6-11,13-15H2,(H,22,26);2*1H
InChIKeyYIXSRFGLDAXREF-UHFFFAOYSA-N
MW426.39 g/mol
LogP2.33
Rot. Bonds5

About 2-(4-phenylpiperidin-1-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)acetamide;dihydrochloride

2-(4-phenylpiperidin-1-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)acetamide;dihydrochloride (PubChem CID 154897139) has the molecular formula C20H29Cl2N5O and a molecular weight of 426.39 g/mol. Its IUPAC name is 2-(4-phenylpiperidin-1-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-(4-phenylpiperidin-1-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)acetamide;dihydrochloride
PubChem CID154897139
Molecular FormulaC20H29Cl2N5O
Molecular Weight426.39 g/mol
Exact Mass425.17
IUPAC Name2-(4-phenylpiperidin-1-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)acetamide;dihydrochloride
SMILESCl.Cl.O=C(CN1CCC(c2ccccc2)CC1)NCc1cc2n(n1)CCNC2
InChIInChI=1S/C20H27N5O.2ClH/c26-20(22-13-18-12-19-14-21-8-11-25(19)23-18)15-24-9-6-17(7-10-24)16-4-2-1-3-5-16;;/h1-5,12,17,21H,6-11,13-15H2,(H,22,26);2*1H
InChIKeyYIXSRFGLDAXREF-UHFFFAOYSA-N
XLogP2.33
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.39
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)acetamide
CID 97120913
(3S)-3-(4-fluorophenyl)-3-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)propanamide
CID 97455358
2-[[(4R)-4-phenylazepan-1-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
CID 95719438
2-[[(4S)-4-phenylazepan-1-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
CID 95719439
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CID 70720278
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CID 70736280
5-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,2-oxazole-4-carboxamide
CID 74238439
2-(4-phenylpiperidin-1-yl)-N-propylacetamide
CID 134001849
2-(2-chlorophenoxy)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)acetamide;hydrochloride
CID 154895981
3-(1,3-dihydroisoindol-2-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)benzamide
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2-(4-phenylpiperidin-1-yl)-1-piperidin-4-ylethanone
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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylpiperidin-1-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)acetamide;dihydrochloride?
The IUPAC name of 2-(4-phenylpiperidin-1-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)acetamide;dihydrochloride (CID 154897139) is 2-(4-phenylpiperidin-1-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)acetamide;dihydrochloride.
What is the SMILES notation for 2-(4-phenylpiperidin-1-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)acetamide;dihydrochloride?
The canonical SMILES for 2-(4-phenylpiperidin-1-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)acetamide;dihydrochloride is Cl.Cl.O=C(CN1CCC(c2ccccc2)CC1)NCc1cc2n(n1)CCNC2.
What is the InChIKey of 2-(4-phenylpiperidin-1-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)acetamide;dihydrochloride?
The InChIKey is YIXSRFGLDAXREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O.2ClH/c26-20(22-13-18-12-19-14-21-8-11-25(19)23-18)15-24-9-6-17(7-10-24)16-4-2-1-3-5-16;;/h1-5,12,17,21H,6-11,13-15H2,(H,22,26);2*1H.
What are the key properties of 2-(4-phenylpiperidin-1-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)acetamide;dihydrochloride?
2-(4-phenylpiperidin-1-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)acetamide;dihydrochloride has a molecular weight of 426.39 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylpiperidin-1-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)acetamide;dihydrochloride is sourced from PubChem (CID 154897139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).