N-(2-methoxyethyl)-1-[2-(4-methylphenyl)pyridine-3-carbonyl]piperidine-3-carboxamide

C22H27N3O3 — CID 50832472

IUPACN-(2-methoxyethyl)-1-[2-(4-methylphenyl)pyridine-3-carbonyl]piperidine-3-carboxamide
SMILESCOCCNC(=O)C1CCCN(C(=O)c2cccnc2-c2ccc(C)cc2)C1
InChIInChI=1S/C22H27N3O3/c1-16-7-9-17(10-8-16)20-19(6-3-11-23-20)22(27)25-13-4-5-18(15-25)21(26)24-12-14-28-2/h3,6-11,18H,4-5,12-15H2,1-2H3,(H,24,26)
InChIKeyXKILVQLTJGHRLO-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.67
Rot. Bonds6

About N-(2-methoxyethyl)-1-[2-(4-methylphenyl)pyridine-3-carbonyl]piperidine-3-carboxamide

N-(2-methoxyethyl)-1-[2-(4-methylphenyl)pyridine-3-carbonyl]piperidine-3-carboxamide (PubChem CID 50832472) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-[2-(4-methylphenyl)pyridine-3-carbonyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-[2-(4-methylphenyl)pyridine-3-carbonyl]piperidine-3-carboxamide
PubChem CID50832472
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC NameN-(2-methoxyethyl)-1-[2-(4-methylphenyl)pyridine-3-carbonyl]piperidine-3-carboxamide
SMILESCOCCNC(=O)C1CCCN(C(=O)c2cccnc2-c2ccc(C)cc2)C1
InChIInChI=1S/C22H27N3O3/c1-16-7-9-17(10-8-16)20-19(6-3-11-23-20)22(27)25-13-4-5-18(15-25)21(26)24-12-14-28-2/h3,6-11,18H,4-5,12-15H2,1-2H3,(H,24,26)
InChIKeyXKILVQLTJGHRLO-UHFFFAOYSA-N
XLogP2.67
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 51239971
N-(2-aminoethyl)-1-(2-methylpyridine-3-carbonyl)piperidine-3-carboxamide;dihydrochloride
CID 119480906
N-[3-(2-methoxyethoxy)propyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 51114268
1-(4-methylbenzoyl)-N-(2-phenoxyethyl)piperidine-3-carboxamide
CID 46481032
1-(4-methylbenzoyl)-N-[2-(3-methylphenoxy)ethyl]piperidine-3-carboxamide
CID 46422462
1-(4-methylbenzoyl)-N-(2-naphthalen-1-yloxyethyl)piperidine-3-carboxamide
CID 55890166
5-[(3S)-3-(3-methoxypropylcarbamoyl)piperidine-1-carbonyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 92890544
1-(2-chlorobenzoyl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 50804467
1-(2-ethoxypyridine-3-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55810089
(3R)-3-N-[2-(4-methylphenoxy)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9088747
N-(2-methoxyethyl)-1-[4-(4-methylanilino)pyrimidin-2-yl]piperidine-3-carboxamide
CID 134801627
(3R)-N-(3-methoxypropyl)-1-[5-(4-methylphenyl)pyrimidin-2-yl]piperidine-3-carboxamide
CID 95085563

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1-[2-(4-methylphenyl)pyridine-3-carbonyl]piperidine-3-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-1-[2-(4-methylphenyl)pyridine-3-carbonyl]piperidine-3-carboxamide (CID 50832472) is N-(2-methoxyethyl)-1-[2-(4-methylphenyl)pyridine-3-carbonyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-1-[2-(4-methylphenyl)pyridine-3-carbonyl]piperidine-3-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-1-[2-(4-methylphenyl)pyridine-3-carbonyl]piperidine-3-carboxamide is COCCNC(=O)C1CCCN(C(=O)c2cccnc2-c2ccc(C)cc2)C1.
What is the InChIKey of N-(2-methoxyethyl)-1-[2-(4-methylphenyl)pyridine-3-carbonyl]piperidine-3-carboxamide?
The InChIKey is XKILVQLTJGHRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-16-7-9-17(10-8-16)20-19(6-3-11-23-20)22(27)25-13-4-5-18(15-25)21(26)24-12-14-28-2/h3,6-11,18H,4-5,12-15H2,1-2H3,(H,24,26).
What are the key properties of N-(2-methoxyethyl)-1-[2-(4-methylphenyl)pyridine-3-carbonyl]piperidine-3-carboxamide?
N-(2-methoxyethyl)-1-[2-(4-methylphenyl)pyridine-3-carbonyl]piperidine-3-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-[2-(4-methylphenyl)pyridine-3-carbonyl]piperidine-3-carboxamide is sourced from PubChem (CID 50832472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).