(3S,4S)-3-ethyl-N-(3-methoxyphenyl)-4-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]piperidine-1-carboxamide

C23H30N4O3 — CID 162806830

IUPAC(3S,4S)-3-ethyl-N-(3-methoxyphenyl)-4-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]piperidine-1-carboxamide
SMILESCC[C@@H]1CN(C(=O)Nc2cccc(OC)c2)CC[C@H]1CC(=O)NCc1cccnc1
InChIInChI=1S/C23H30N4O3/c1-3-18-16-27(23(29)26-20-7-4-8-21(13-20)30-2)11-9-19(18)12-22(28)25-15-17-6-5-10-24-14-17/h4-8,10,13-14,18-19H,3,9,11-12,15-16H2,1-2H3,(H,25,28)(H,26,29)/t18-,19+/m1/s1
InChIKeyLZXZTNBVTHFMNC-MOPGFXCFSA-N
MW410.52 g/mol
LogP3.68
Rot. Bonds7

About (3S,4S)-3-ethyl-N-(3-methoxyphenyl)-4-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]piperidine-1-carboxamide

(3S,4S)-3-ethyl-N-(3-methoxyphenyl)-4-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]piperidine-1-carboxamide (PubChem CID 162806830) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is (3S,4S)-3-ethyl-N-(3-methoxyphenyl)-4-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S,4S)-3-ethyl-N-(3-methoxyphenyl)-4-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]piperidine-1-carboxamide
PubChem CID162806830
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC Name(3S,4S)-3-ethyl-N-(3-methoxyphenyl)-4-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]piperidine-1-carboxamide
SMILESCC[C@@H]1CN(C(=O)Nc2cccc(OC)c2)CC[C@H]1CC(=O)NCc1cccnc1
InChIInChI=1S/C23H30N4O3/c1-3-18-16-27(23(29)26-20-7-4-8-21(13-20)30-2)11-9-19(18)12-22(28)25-15-17-6-5-10-24-14-17/h4-8,10,13-14,18-19H,3,9,11-12,15-16H2,1-2H3,(H,25,28)(H,26,29)/t18-,19+/m1/s1
InChIKeyLZXZTNBVTHFMNC-MOPGFXCFSA-N
XLogP3.68
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S,4S)-3-ethyl-N-(3-methoxyphenyl)-4-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]piperidine-1-carboxamide with MolForge

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Related Compounds

3-ethyl-N-(3-methoxyphenyl)-4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperidine-1-carboxamide
CID 73139411
3-ethyl-4-[2-(3-hydroxyanilino)-2-oxoethyl]-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 163176741
2-(3-ethyl-1-hexanoylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 74693756
ethyl 3-[[(3S,4S)-4-[2-(benzylamino)-2-oxoethyl]-3-ethylpiperidine-1-carbonyl]amino]benzoate
CID 163064560
1-N-(3-methoxyphenyl)-2-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137105
4-N-(3-methoxyphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047690
2-[(3R,4S)-1-benzoyl-3-ethylpiperidin-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 11912039
(3R)-3-hydroxy-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 63362733
N-(3-methoxyphenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide
CID 71840497
(3R,4S)-4-tert-butyl-3-hydroxy-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 97261232
4-tert-butyl-3-hydroxy-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 75449592
3-hydroxy-N-(3-methoxyphenyl)-4-methylpiperidine-1-carboxamide
CID 103896298

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-ethyl-N-(3-methoxyphenyl)-4-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]piperidine-1-carboxamide?
The IUPAC name of (3S,4S)-3-ethyl-N-(3-methoxyphenyl)-4-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]piperidine-1-carboxamide (CID 162806830) is (3S,4S)-3-ethyl-N-(3-methoxyphenyl)-4-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for (3S,4S)-3-ethyl-N-(3-methoxyphenyl)-4-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]piperidine-1-carboxamide?
The canonical SMILES for (3S,4S)-3-ethyl-N-(3-methoxyphenyl)-4-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]piperidine-1-carboxamide is CC[C@@H]1CN(C(=O)Nc2cccc(OC)c2)CC[C@H]1CC(=O)NCc1cccnc1.
What is the InChIKey of (3S,4S)-3-ethyl-N-(3-methoxyphenyl)-4-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]piperidine-1-carboxamide?
The InChIKey is LZXZTNBVTHFMNC-MOPGFXCFSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-3-18-16-27(23(29)26-20-7-4-8-21(13-20)30-2)11-9-19(18)12-22(28)25-15-17-6-5-10-24-14-17/h4-8,10,13-14,18-19H,3,9,11-12,15-16H2,1-2H3,(H,25,28)(H,26,29)/t18-,19+/m1/s1.
What are the key properties of (3S,4S)-3-ethyl-N-(3-methoxyphenyl)-4-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]piperidine-1-carboxamide?
(3S,4S)-3-ethyl-N-(3-methoxyphenyl)-4-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]piperidine-1-carboxamide has a molecular weight of 410.52 g/mol, XLogP of 3.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-ethyl-N-(3-methoxyphenyl)-4-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 162806830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).