1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride

C23H34ClN3O3 — CID 119759263

IUPAC1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
SMILESCOc1ccc(CNC(=O)C2CCN(C(=O)CC3CC4CCC(C3)N4)CC2)cc1.Cl
InChIInChI=1S/C23H33N3O3.ClH/c1-29-21-6-2-16(3-7-21)15-24-23(28)18-8-10-26(11-9-18)22(27)14-17-12-19-4-5-20(13-17)25-19;/h2-3,6-7,17-20,25H,4-5,8-15H2,1H3,(H,24,28);1H
InChIKeyYRPCBVSVKKLTKZ-UHFFFAOYSA-N
MW436.00 g/mol
LogP2.89
Rot. Bonds6

About 1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride

1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 119759263) has the molecular formula C23H34ClN3O3 and a molecular weight of 436.00 g/mol. Its IUPAC name is 1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
PubChem CID119759263
Molecular FormulaC23H34ClN3O3
Molecular Weight436.00 g/mol
Exact Mass435.23
IUPAC Name1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
SMILESCOc1ccc(CNC(=O)C2CCN(C(=O)CC3CC4CCC(C3)N4)CC2)cc1.Cl
InChIInChI=1S/C23H33N3O3.ClH/c1-29-21-6-2-16(3-7-21)15-24-23(28)18-8-10-26(11-9-18)22(27)14-17-12-19-4-5-20(13-17)25-19;/h2-3,6-7,17-20,25H,4-5,8-15H2,1H3,(H,24,28);1H
InChIKeyYRPCBVSVKKLTKZ-UHFFFAOYSA-N
XLogP2.89
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.00
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]ethanone;hydrochloride
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N-[(4-methoxyphenyl)methyl]-1-[2-(4-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113004350
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CID 119732606
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CID 154842260
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Frequently Asked Questions

What is the IUPAC name of 1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of 1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride (CID 119759263) is 1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride is COc1ccc(CNC(=O)C2CCN(C(=O)CC3CC4CCC(C3)N4)CC2)cc1.Cl.
What is the InChIKey of 1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is YRPCBVSVKKLTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O3.ClH/c1-29-21-6-2-16(3-7-21)15-24-23(28)18-8-10-26(11-9-18)22(27)14-17-12-19-4-5-20(13-17)25-19;/h2-3,6-7,17-20,25H,4-5,8-15H2,1H3,(H,24,28);1H.
What are the key properties of 1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride?
1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 436.00 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119759263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).