4-(4-ethylphenyl)-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide

C20H27N3O2 — CID 97159093

IUPAC4-(4-ethylphenyl)-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCCc1ccc(C2=CCN(C(=O)N[C@@H]3CCC(=O)N(C)C3)CC2)cc1
InChIInChI=1S/C20H27N3O2/c1-3-15-4-6-16(7-5-15)17-10-12-23(13-11-17)20(25)21-18-8-9-19(24)22(2)14-18/h4-7,10,18H,3,8-9,11-14H2,1-2H3,(H,21,25)/t18-/m1/s1
InChIKeyLBFVWXLNZGJBJR-GOSISDBHSA-N
MW341.46 g/mol
LogP2.67
Rot. Bonds3

About 4-(4-ethylphenyl)-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide

4-(4-ethylphenyl)-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 97159093) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 4-(4-ethylphenyl)-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound Name4-(4-ethylphenyl)-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID97159093
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name4-(4-ethylphenyl)-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCCc1ccc(C2=CCN(C(=O)N[C@@H]3CCC(=O)N(C)C3)CC2)cc1
InChIInChI=1S/C20H27N3O2/c1-3-15-4-6-16(7-5-15)17-10-12-23(13-11-17)20(25)21-18-8-9-19(24)22(2)14-18/h4-7,10,18H,3,8-9,11-14H2,1-2H3,(H,21,25)/t18-/m1/s1
InChIKeyLBFVWXLNZGJBJR-GOSISDBHSA-N
XLogP2.67
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(4-ethylphenyl)-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide with MolForge

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Related Compounds

2-[4-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]piperazin-1-yl]acetic acid
CID 64667444
(3S)-3-methyl-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 97248845
2-[4-(aminomethyl)phenyl]-N-(1-methyl-6-oxopiperidin-3-yl)acetamide
CID 64656494
2-[methyl-[(4-methylphenyl)methyl]amino]-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]acetamide
CID 124755207
1-methyl-3-(1-methyl-6-oxopiperidin-3-yl)-1-[1-(4-methylphenyl)butan-2-yl]urea
CID 71869813
3-(4-aminophenyl)-N-(1-methyl-6-oxopiperidin-3-yl)propanamide
CID 64655886
N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-4-(piperidin-1-ylmethyl)benzamide
CID 97196232
2-ethyl-1-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 83063217
methyl 2-[(1-methyl-6-oxopiperidin-3-yl)amino]-2-oxoacetate
CID 112617343
4-[(3-chlorocyclohexyl)methyl]-N-(1-methyl-6-oxopiperidin-3-yl)piperidine-1-carboxamide
CID 165157058
4-hydroxy-N-(1-methyl-6-oxopiperidin-3-yl)-4-pyridin-3-ylpiperidine-1-carboxamide
CID 121497817
N-(1-methyl-6-oxopiperidin-3-yl)-3-(4-propoxyphenyl)propanamide
CID 71994599

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylphenyl)-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of 4-(4-ethylphenyl)-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide (CID 97159093) is 4-(4-ethylphenyl)-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for 4-(4-ethylphenyl)-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for 4-(4-ethylphenyl)-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide is CCc1ccc(C2=CCN(C(=O)N[C@@H]3CCC(=O)N(C)C3)CC2)cc1.
What is the InChIKey of 4-(4-ethylphenyl)-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is LBFVWXLNZGJBJR-GOSISDBHSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-3-15-4-6-16(7-5-15)17-10-12-23(13-11-17)20(25)21-18-8-9-19(24)22(2)14-18/h4-7,10,18H,3,8-9,11-14H2,1-2H3,(H,21,25)/t18-/m1/s1.
What are the key properties of 4-(4-ethylphenyl)-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide?
4-(4-ethylphenyl)-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylphenyl)-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 97159093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).