(2S,4S)-N-(1-methoxyhexan-2-yl)-2-methylpiperidine-4-carboxamide

C14H28N2O2 — CID 120634648

IUPAC(2S,4S)-N-(1-methoxyhexan-2-yl)-2-methylpiperidine-4-carboxamide
SMILESCCCCC(COC)NC(=O)[C@H]1CCN[C@@H](C)C1
InChIInChI=1S/C14H28N2O2/c1-4-5-6-13(10-18-3)16-14(17)12-7-8-15-11(2)9-12/h11-13,15H,4-10H2,1-3H3,(H,16,17)/t11-,12-,13?/m0/s1
InChIKeyOZEGSZJEWBZHKN-VYAYZGMFSA-N
MW256.39 g/mol
LogP1.70
Rot. Bonds7

About (2S,4S)-N-(1-methoxyhexan-2-yl)-2-methylpiperidine-4-carboxamide

(2S,4S)-N-(1-methoxyhexan-2-yl)-2-methylpiperidine-4-carboxamide (PubChem CID 120634648) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is (2S,4S)-N-(1-methoxyhexan-2-yl)-2-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-(1-methoxyhexan-2-yl)-2-methylpiperidine-4-carboxamide
PubChem CID120634648
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name(2S,4S)-N-(1-methoxyhexan-2-yl)-2-methylpiperidine-4-carboxamide
SMILESCCCCC(COC)NC(=O)[C@H]1CCN[C@@H](C)C1
InChIInChI=1S/C14H28N2O2/c1-4-5-6-13(10-18-3)16-14(17)12-7-8-15-11(2)9-12/h11-13,15H,4-10H2,1-3H3,(H,16,17)/t11-,12-,13?/m0/s1
InChIKeyOZEGSZJEWBZHKN-VYAYZGMFSA-N
XLogP1.70
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S,4S)-N-(1-methoxyhexan-2-yl)-2-methylpiperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,4S)-N-hexan-3-yl-2-methylpiperidine-4-carboxamide
CID 120627601
4-hydroxy-N-(1-methoxyhexan-2-yl)pyrrolidine-2-carboxamide
CID 119795711
(2S,4S)-N-(2-ethylhexyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120615953
(2S,4S)-2-methyl-N-(1-methylsulfanylbutan-2-yl)piperidine-4-carboxamide;hydrochloride
CID 120641275
N-(3-hydroxy-4-methoxybutyl)-2-methylpiperidine-4-carboxamide
CID 106832212
N-(1-methoxyhexan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119330337
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-methoxyhexan-2-yl)acetamide;hydrochloride
CID 119795718
butyl 2-methylpiperidine-4-carboxylate
CID 106743768
2-methyl-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
CID 106738718
N-(5-hydroxypentan-2-yl)-2-methylpiperidine-4-carboxamide
CID 106740348
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-methoxyhexan-2-yl)acetamide
CID 119795719
2-ethylhexyl 2-methylpiperidine-4-carboxylate
CID 106743792

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-(1-methoxyhexan-2-yl)-2-methylpiperidine-4-carboxamide?
The IUPAC name of (2S,4S)-N-(1-methoxyhexan-2-yl)-2-methylpiperidine-4-carboxamide (CID 120634648) is (2S,4S)-N-(1-methoxyhexan-2-yl)-2-methylpiperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-N-(1-methoxyhexan-2-yl)-2-methylpiperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-N-(1-methoxyhexan-2-yl)-2-methylpiperidine-4-carboxamide is CCCCC(COC)NC(=O)[C@H]1CCN[C@@H](C)C1.
What is the InChIKey of (2S,4S)-N-(1-methoxyhexan-2-yl)-2-methylpiperidine-4-carboxamide?
The InChIKey is OZEGSZJEWBZHKN-VYAYZGMFSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-4-5-6-13(10-18-3)16-14(17)12-7-8-15-11(2)9-12/h11-13,15H,4-10H2,1-3H3,(H,16,17)/t11-,12-,13?/m0/s1.
What are the key properties of (2S,4S)-N-(1-methoxyhexan-2-yl)-2-methylpiperidine-4-carboxamide?
(2S,4S)-N-(1-methoxyhexan-2-yl)-2-methylpiperidine-4-carboxamide has a molecular weight of 256.39 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-(1-methoxyhexan-2-yl)-2-methylpiperidine-4-carboxamide is sourced from PubChem (CID 120634648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).