4-(1-benzylpiperidin-4-yl)-1-(cyclohexanecarbonyl)-2H-pyrazin-3-one;hydrochloride

C23H32ClN3O2 — CID 67037631

IUPAC4-(1-benzylpiperidin-4-yl)-1-(cyclohexanecarbonyl)-2H-pyrazin-3-one;hydrochloride
SMILESCl.O=C(C1CCCCC1)N1C=CN(C2CCN(Cc3ccccc3)CC2)C(=O)C1
InChIInChI=1S/C23H31N3O2.ClH/c27-22-18-25(23(28)20-9-5-2-6-10-20)15-16-26(22)21-11-13-24(14-12-21)17-19-7-3-1-4-8-19;/h1,3-4,7-8,15-16,20-21H,2,5-6,9-14,17-18H2;1H
InChIKeyOZADPNFAXOPWIL-UHFFFAOYSA-N
MW417.98 g/mol
LogP3.80
Rot. Bonds4

About 4-(1-benzylpiperidin-4-yl)-1-(cyclohexanecarbonyl)-2H-pyrazin-3-one;hydrochloride

4-(1-benzylpiperidin-4-yl)-1-(cyclohexanecarbonyl)-2H-pyrazin-3-one;hydrochloride (PubChem CID 67037631) has the molecular formula C23H32ClN3O2 and a molecular weight of 417.98 g/mol. Its IUPAC name is 4-(1-benzylpiperidin-4-yl)-1-(cyclohexanecarbonyl)-2H-pyrazin-3-one;hydrochloride.

Molecular Properties

Compound Name4-(1-benzylpiperidin-4-yl)-1-(cyclohexanecarbonyl)-2H-pyrazin-3-one;hydrochloride
PubChem CID67037631
Molecular FormulaC23H32ClN3O2
Molecular Weight417.98 g/mol
Exact Mass417.22
IUPAC Name4-(1-benzylpiperidin-4-yl)-1-(cyclohexanecarbonyl)-2H-pyrazin-3-one;hydrochloride
SMILESCl.O=C(C1CCCCC1)N1C=CN(C2CCN(Cc3ccccc3)CC2)C(=O)C1
InChIInChI=1S/C23H31N3O2.ClH/c27-22-18-25(23(28)20-9-5-2-6-10-20)15-16-26(22)21-11-13-24(14-12-21)17-19-7-3-1-4-8-19;/h1,3-4,7-8,15-16,20-21H,2,5-6,9-14,17-18H2;1H
InChIKeyOZADPNFAXOPWIL-UHFFFAOYSA-N
XLogP3.80
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.98
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclohexanecarbonyl)-4-(2-phenylethyl)-2H-pyrazin-3-one
CID 4124841
azocan-1-yl-[1-(1-benzylpiperidin-4-yl)piperidin-3-yl]methanone
CID 45192001
azepan-1-yl-[1-(1-benzylpiperidin-4-yl)piperidin-3-yl]methanone;oxalic acid
CID 90483690
(4-benzyl-1,4-diazepan-1-yl)-cyclopentylmethanone
CID 23939190
1-(1-benzylpiperidin-4-yl)azocane
CID 2846402
1-benzyl-4-cyclohexylpiperazine;oxalic acid
CID 126476719
1-benzylpiperidine-4-carbonyl chloride
CID 18919767
[(3R)-1-benzylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 756196
azepan-1-yl-[(3R)-1-benzylpiperidin-3-yl]methanone
CID 756185
1-(1-benzylpiperidin-4-yl)ethanone
CID 910923
1-benzylpiperidine-4-carbothioic S-acid
CID 154705821
[1-(1-benzylpiperidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 56752149

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzylpiperidin-4-yl)-1-(cyclohexanecarbonyl)-2H-pyrazin-3-one;hydrochloride?
The IUPAC name of 4-(1-benzylpiperidin-4-yl)-1-(cyclohexanecarbonyl)-2H-pyrazin-3-one;hydrochloride (CID 67037631) is 4-(1-benzylpiperidin-4-yl)-1-(cyclohexanecarbonyl)-2H-pyrazin-3-one;hydrochloride.
What is the SMILES notation for 4-(1-benzylpiperidin-4-yl)-1-(cyclohexanecarbonyl)-2H-pyrazin-3-one;hydrochloride?
The canonical SMILES for 4-(1-benzylpiperidin-4-yl)-1-(cyclohexanecarbonyl)-2H-pyrazin-3-one;hydrochloride is Cl.O=C(C1CCCCC1)N1C=CN(C2CCN(Cc3ccccc3)CC2)C(=O)C1.
What is the InChIKey of 4-(1-benzylpiperidin-4-yl)-1-(cyclohexanecarbonyl)-2H-pyrazin-3-one;hydrochloride?
The InChIKey is OZADPNFAXOPWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2.ClH/c27-22-18-25(23(28)20-9-5-2-6-10-20)15-16-26(22)21-11-13-24(14-12-21)17-19-7-3-1-4-8-19;/h1,3-4,7-8,15-16,20-21H,2,5-6,9-14,17-18H2;1H.
What are the key properties of 4-(1-benzylpiperidin-4-yl)-1-(cyclohexanecarbonyl)-2H-pyrazin-3-one;hydrochloride?
4-(1-benzylpiperidin-4-yl)-1-(cyclohexanecarbonyl)-2H-pyrazin-3-one;hydrochloride has a molecular weight of 417.98 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzylpiperidin-4-yl)-1-(cyclohexanecarbonyl)-2H-pyrazin-3-one;hydrochloride is sourced from PubChem (CID 67037631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).