(2R,3S)-N-(1-ethyl-6-oxo-3-pyridinyl)-1-methyl-6-oxo-2-piperidin-4-ylpiperidine-3-carboxamide

C19H28N4O3 — CID 166024116

IUPAC(2R,3S)-N-(1-ethyl-6-oxo-3-pyridinyl)-1-methyl-6-oxo-2-piperidin-4-ylpiperidine-3-carboxamide
SMILESCCn1cc(NC(=O)[C@H]2CCC(=O)N(C)[C@@H]2C2CCNCC2)ccc1=O
InChIInChI=1S/C19H28N4O3/c1-3-23-12-14(4-6-17(23)25)21-19(26)15-5-7-16(24)22(2)18(15)13-8-10-20-11-9-13/h4,6,12-13,15,18,20H,3,5,7-11H2,1-2H3,(H,21,26)/t15-,18+/m0/s1
InChIKeyAJSIVFYHJRKOAV-MAUKXSAKSA-N
MW360.46 g/mol
LogP1.04
Rot. Bonds4

About (2R,3S)-N-(1-ethyl-6-oxo-3-pyridinyl)-1-methyl-6-oxo-2-piperidin-4-ylpiperidine-3-carboxamide

(2R,3S)-N-(1-ethyl-6-oxo-3-pyridinyl)-1-methyl-6-oxo-2-piperidin-4-ylpiperidine-3-carboxamide (PubChem CID 166024116) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is (2R,3S)-N-(1-ethyl-6-oxo-3-pyridinyl)-1-methyl-6-oxo-2-piperidin-4-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-(1-ethyl-6-oxo-3-pyridinyl)-1-methyl-6-oxo-2-piperidin-4-ylpiperidine-3-carboxamide
PubChem CID166024116
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Name(2R,3S)-N-(1-ethyl-6-oxo-3-pyridinyl)-1-methyl-6-oxo-2-piperidin-4-ylpiperidine-3-carboxamide
SMILESCCn1cc(NC(=O)[C@H]2CCC(=O)N(C)[C@@H]2C2CCNCC2)ccc1=O
InChIInChI=1S/C19H28N4O3/c1-3-23-12-14(4-6-17(23)25)21-19(26)15-5-7-16(24)22(2)18(15)13-8-10-20-11-9-13/h4,6,12-13,15,18,20H,3,5,7-11H2,1-2H3,(H,21,26)/t15-,18+/m0/s1
InChIKeyAJSIVFYHJRKOAV-MAUKXSAKSA-N
XLogP1.04
TPSA83.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-(1-ethyl-6-oxo-3-pyridinyl)-1-methyl-6-oxo-2-piperidin-4-ylpiperidine-3-carboxamide?
The IUPAC name of (2R,3S)-N-(1-ethyl-6-oxo-3-pyridinyl)-1-methyl-6-oxo-2-piperidin-4-ylpiperidine-3-carboxamide (CID 166024116) is (2R,3S)-N-(1-ethyl-6-oxo-3-pyridinyl)-1-methyl-6-oxo-2-piperidin-4-ylpiperidine-3-carboxamide.
What is the SMILES notation for (2R,3S)-N-(1-ethyl-6-oxo-3-pyridinyl)-1-methyl-6-oxo-2-piperidin-4-ylpiperidine-3-carboxamide?
The canonical SMILES for (2R,3S)-N-(1-ethyl-6-oxo-3-pyridinyl)-1-methyl-6-oxo-2-piperidin-4-ylpiperidine-3-carboxamide is CCn1cc(NC(=O)[C@H]2CCC(=O)N(C)[C@@H]2C2CCNCC2)ccc1=O.
What is the InChIKey of (2R,3S)-N-(1-ethyl-6-oxo-3-pyridinyl)-1-methyl-6-oxo-2-piperidin-4-ylpiperidine-3-carboxamide?
The InChIKey is AJSIVFYHJRKOAV-MAUKXSAKSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-3-23-12-14(4-6-17(23)25)21-19(26)15-5-7-16(24)22(2)18(15)13-8-10-20-11-9-13/h4,6,12-13,15,18,20H,3,5,7-11H2,1-2H3,(H,21,26)/t15-,18+/m0/s1.
What are the key properties of (2R,3S)-N-(1-ethyl-6-oxo-3-pyridinyl)-1-methyl-6-oxo-2-piperidin-4-ylpiperidine-3-carboxamide?
(2R,3S)-N-(1-ethyl-6-oxo-3-pyridinyl)-1-methyl-6-oxo-2-piperidin-4-ylpiperidine-3-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-(1-ethyl-6-oxo-3-pyridinyl)-1-methyl-6-oxo-2-piperidin-4-ylpiperidine-3-carboxamide is sourced from PubChem (CID 166024116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).