(3S)-1-ethyl-3-methyl-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]piperidine-3-carboxamide

C18H29N3O2 — CID 97197940

IUPAC(3S)-1-ethyl-3-methyl-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]piperidine-3-carboxamide
SMILESCCN1CCC[C@](C)(C(=O)NCCCn2c(C)cccc2=O)C1
InChIInChI=1S/C18H29N3O2/c1-4-20-12-6-10-18(3,14-20)17(23)19-11-7-13-21-15(2)8-5-9-16(21)22/h5,8-9H,4,6-7,10-14H2,1-3H3,(H,19,23)/t18-/m0/s1
InChIKeyHLWSFFXZECINOO-SFHVURJKSA-N
MW319.45 g/mol
LogP1.79
Rot. Bonds6

About (3S)-1-ethyl-3-methyl-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]piperidine-3-carboxamide

(3S)-1-ethyl-3-methyl-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]piperidine-3-carboxamide (PubChem CID 97197940) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is (3S)-1-ethyl-3-methyl-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-ethyl-3-methyl-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]piperidine-3-carboxamide
PubChem CID97197940
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name(3S)-1-ethyl-3-methyl-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]piperidine-3-carboxamide
SMILESCCN1CCC[C@](C)(C(=O)NCCCn2c(C)cccc2=O)C1
InChIInChI=1S/C18H29N3O2/c1-4-20-12-6-10-18(3,14-20)17(23)19-11-7-13-21-15(2)8-5-9-16(21)22/h5,8-9H,4,6-7,10-14H2,1-3H3,(H,19,23)/t18-/m0/s1
InChIKeyHLWSFFXZECINOO-SFHVURJKSA-N
XLogP1.79
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.79
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

(3S)-1-ethyl-3-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]piperidine-3-carboxamide
CID 97186910
(3S)-1-ethyl-3-methyl-N-[2-(2H-triazol-4-yl)ethyl]piperidine-3-carboxamide
CID 126445765
N'-methyl-N-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]-2-azaspiro[4.5]decane-2-carboximidamide
CID 111744231
4,6-dimethyl-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 56713311
4-methyl-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxamide
CID 172664470
1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]guanidine
CID 109469736
(3R)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-ethyl-3-methylpiperidine-3-carboxamide
CID 136861426
(3R)-1-ethyl-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-3-methylpiperidine-3-carboxamide
CID 97205049
2-methyl-1-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]-3-(1-propylpiperidin-4-yl)guanidine
CID 111018753
(3S)-1-ethyl-3-methyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]piperidine-3-carboxamide
CID 126439584
6-methyl-1-[4-(propylamino)butyl]pyridin-2-one
CID 62566200
2-(dimethylamino)-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-(4-methylphenyl)acetamide
CID 72904212

Frequently Asked Questions

What is the IUPAC name of (3S)-1-ethyl-3-methyl-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-ethyl-3-methyl-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]piperidine-3-carboxamide (CID 97197940) is (3S)-1-ethyl-3-methyl-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-ethyl-3-methyl-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-ethyl-3-methyl-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]piperidine-3-carboxamide is CCN1CCC[C@](C)(C(=O)NCCCn2c(C)cccc2=O)C1.
What is the InChIKey of (3S)-1-ethyl-3-methyl-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]piperidine-3-carboxamide?
The InChIKey is HLWSFFXZECINOO-SFHVURJKSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-4-20-12-6-10-18(3,14-20)17(23)19-11-7-13-21-15(2)8-5-9-16(21)22/h5,8-9H,4,6-7,10-14H2,1-3H3,(H,19,23)/t18-/m0/s1.
What are the key properties of (3S)-1-ethyl-3-methyl-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]piperidine-3-carboxamide?
(3S)-1-ethyl-3-methyl-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]piperidine-3-carboxamide has a molecular weight of 319.45 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-ethyl-3-methyl-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]piperidine-3-carboxamide is sourced from PubChem (CID 97197940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).