(3R)-1-ethyl-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide

C18H27N3O3 — CID 97131628

IUPAC(3R)-1-ethyl-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide
SMILESCCN1C[C@H](C(=O)N(C)Cc2ncc(C)c(OC)c2C)CCC1=O
InChIInChI=1S/C18H27N3O3/c1-6-21-10-14(7-8-16(21)22)18(23)20(4)11-15-13(3)17(24-5)12(2)9-19-15/h9,14H,6-8,10-11H2,1-5H3/t14-/m1/s1
InChIKeyOLEUGMHBQWWMMA-CQSZACIVSA-N
MW333.43 g/mol
LogP1.92
Rot. Bonds5

About (3R)-1-ethyl-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide

(3R)-1-ethyl-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide (PubChem CID 97131628) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is (3R)-1-ethyl-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-ethyl-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide
PubChem CID97131628
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name(3R)-1-ethyl-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide
SMILESCCN1C[C@H](C(=O)N(C)Cc2ncc(C)c(OC)c2C)CCC1=O
InChIInChI=1S/C18H27N3O3/c1-6-21-10-14(7-8-16(21)22)18(23)20(4)11-15-13(3)17(24-5)12(2)9-19-15/h9,14H,6-8,10-11H2,1-5H3/t14-/m1/s1
InChIKeyOLEUGMHBQWWMMA-CQSZACIVSA-N
XLogP1.92
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-ethyl-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide?
The IUPAC name of (3R)-1-ethyl-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide (CID 97131628) is (3R)-1-ethyl-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-ethyl-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-ethyl-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide is CCN1C[C@H](C(=O)N(C)Cc2ncc(C)c(OC)c2C)CCC1=O.
What is the InChIKey of (3R)-1-ethyl-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide?
The InChIKey is OLEUGMHBQWWMMA-CQSZACIVSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-6-21-10-14(7-8-16(21)22)18(23)20(4)11-15-13(3)17(24-5)12(2)9-19-15/h9,14H,6-8,10-11H2,1-5H3/t14-/m1/s1.
What are the key properties of (3R)-1-ethyl-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide?
(3R)-1-ethyl-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide has a molecular weight of 333.43 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-ethyl-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 97131628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).