1-(bicyclo[2.2.1]heptane-2-carbonyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide

C21H28N2O3 — CID 55653512

IUPAC1-(bicyclo[2.2.1]heptane-2-carbonyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
SMILESCOc1ccccc1NC(=O)C1CCN(C(=O)C2CC3CCC2C3)CC1
InChIInChI=1S/C21H28N2O3/c1-26-19-5-3-2-4-18(19)22-20(24)15-8-10-23(11-9-15)21(25)17-13-14-6-7-16(17)12-14/h2-5,14-17H,6-13H2,1H3,(H,22,24)
InChIKeyANKISAZYUMOPSC-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.31
Rot. Bonds4

About 1-(bicyclo[2.2.1]heptane-2-carbonyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide

1-(bicyclo[2.2.1]heptane-2-carbonyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide (PubChem CID 55653512) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-(bicyclo[2.2.1]heptane-2-carbonyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(bicyclo[2.2.1]heptane-2-carbonyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
PubChem CID55653512
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name1-(bicyclo[2.2.1]heptane-2-carbonyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
SMILESCOc1ccccc1NC(=O)C1CCN(C(=O)C2CC3CCC2C3)CC1
InChIInChI=1S/C21H28N2O3/c1-26-19-5-3-2-4-18(19)22-20(24)15-8-10-23(11-9-15)21(25)17-13-14-6-7-16(17)12-14/h2-5,14-17H,6-13H2,1H3,(H,22,24)
InChIKeyANKISAZYUMOPSC-UHFFFAOYSA-N
XLogP3.31
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(bicyclo[2.2.1]heptane-2-carbonyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide with MolForge

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Related Compounds

trans-(1R,2R)-2-[4-[(2-methoxyphenyl)carbamoyl]piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 129468162
1-acetyl-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 6468496
N-(2-methoxyphenyl)-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146305
1-(3-aminocyclopentanecarbonyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide;hydrochloride
CID 119732590
3-[4-[(2-methoxyphenyl)carbamoyl]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120549472
1-(2,2-dimethylpropanoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 17224335
1-N,1-N-diethyl-4-N-(2-methoxyphenyl)piperidine-1,4-dicarboxamide
CID 56922674
2-(4-formylpiperazine-1-carbonyl)-N-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 109134583
N-(2-methoxyphenyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109134246
4-N-(2-chlorophenyl)-1-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109150938
1-(3,5-dimethoxy-4-methylbenzoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 33336070
1-(4-chlorobenzoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 2295609

Frequently Asked Questions

What is the IUPAC name of 1-(bicyclo[2.2.1]heptane-2-carbonyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(bicyclo[2.2.1]heptane-2-carbonyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide (CID 55653512) is 1-(bicyclo[2.2.1]heptane-2-carbonyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(bicyclo[2.2.1]heptane-2-carbonyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(bicyclo[2.2.1]heptane-2-carbonyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide is COc1ccccc1NC(=O)C1CCN(C(=O)C2CC3CCC2C3)CC1.
What is the InChIKey of 1-(bicyclo[2.2.1]heptane-2-carbonyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide?
The InChIKey is ANKISAZYUMOPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-26-19-5-3-2-4-18(19)22-20(24)15-8-10-23(11-9-15)21(25)17-13-14-6-7-16(17)12-14/h2-5,14-17H,6-13H2,1H3,(H,22,24).
What are the key properties of 1-(bicyclo[2.2.1]heptane-2-carbonyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide?
1-(bicyclo[2.2.1]heptane-2-carbonyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bicyclo[2.2.1]heptane-2-carbonyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 55653512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).