N-[4-(2-ethylpiperidin-1-yl)phenyl]-3-methoxybenzamide

C21H26N2O2 — CID 112985435

IUPACN-[4-(2-ethylpiperidin-1-yl)phenyl]-3-methoxybenzamide
SMILESCCC1CCCCN1c1ccc(NC(=O)c2cccc(OC)c2)cc1
InChIInChI=1S/C21H26N2O2/c1-3-18-8-4-5-14-23(18)19-12-10-17(11-13-19)22-21(24)16-7-6-9-20(15-16)25-2/h6-7,9-13,15,18H,3-5,8,14H2,1-2H3,(H,22,24)
InChIKeyGDUKPQMDNMVRPO-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.72
Rot. Bonds5

About N-[4-(2-ethylpiperidin-1-yl)phenyl]-3-methoxybenzamide

N-[4-(2-ethylpiperidin-1-yl)phenyl]-3-methoxybenzamide (PubChem CID 112985435) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[4-(2-ethylpiperidin-1-yl)phenyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[4-(2-ethylpiperidin-1-yl)phenyl]-3-methoxybenzamide
PubChem CID112985435
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-[4-(2-ethylpiperidin-1-yl)phenyl]-3-methoxybenzamide
SMILESCCC1CCCCN1c1ccc(NC(=O)c2cccc(OC)c2)cc1
InChIInChI=1S/C21H26N2O2/c1-3-18-8-4-5-14-23(18)19-12-10-17(11-13-19)22-21(24)16-7-6-9-20(15-16)25-2/h6-7,9-13,15,18H,3-5,8,14H2,1-2H3,(H,22,24)
InChIKeyGDUKPQMDNMVRPO-UHFFFAOYSA-N
XLogP4.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-ethylpiperidin-1-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 112985450
N-[4-(2-ethylpiperidin-1-yl)phenyl]cyclopropanecarboxamide
CID 112985422
N-[4-(2-ethylpiperidin-1-yl)phenyl]thiophene-2-carboxamide
CID 112985429
3-methoxy-N-(4-morpholin-4-ylphenyl)benzamide
CID 795014
N-[4-(2-ethylpiperidin-1-yl)phenyl]-2-methylpropanamide
CID 112985421
ethyl 4-[4-[(3-methoxybenzoyl)amino]phenyl]piperazine-1-carboxylate
CID 112984389
2-(2-ethylpiperidin-1-yl)-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109333798
5-(2-ethylpiperidin-1-yl)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 109240663
N-(3,4-dimethoxyphenyl)-3-(2-ethylpiperidine-1-carbonyl)benzamide
CID 109056485
cis-(1S,2R)-2-[[4-[(3-methoxybenzoyl)amino]phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 1304529
3-methoxy-N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]benzamide
CID 110666844
N-(4-ethoxyphenyl)-5-(2-ethylpiperidin-1-yl)pyridine-2-carboxamide
CID 109196271

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-ethylpiperidin-1-yl)phenyl]-3-methoxybenzamide?
The IUPAC name of N-[4-(2-ethylpiperidin-1-yl)phenyl]-3-methoxybenzamide (CID 112985435) is N-[4-(2-ethylpiperidin-1-yl)phenyl]-3-methoxybenzamide.
What is the SMILES notation for N-[4-(2-ethylpiperidin-1-yl)phenyl]-3-methoxybenzamide?
The canonical SMILES for N-[4-(2-ethylpiperidin-1-yl)phenyl]-3-methoxybenzamide is CCC1CCCCN1c1ccc(NC(=O)c2cccc(OC)c2)cc1.
What is the InChIKey of N-[4-(2-ethylpiperidin-1-yl)phenyl]-3-methoxybenzamide?
The InChIKey is GDUKPQMDNMVRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-3-18-8-4-5-14-23(18)19-12-10-17(11-13-19)22-21(24)16-7-6-9-20(15-16)25-2/h6-7,9-13,15,18H,3-5,8,14H2,1-2H3,(H,22,24).
What are the key properties of N-[4-(2-ethylpiperidin-1-yl)phenyl]-3-methoxybenzamide?
N-[4-(2-ethylpiperidin-1-yl)phenyl]-3-methoxybenzamide has a molecular weight of 338.45 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-ethylpiperidin-1-yl)phenyl]-3-methoxybenzamide is sourced from PubChem (CID 112985435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).