(3R)-1-[[2-[(1R)-1-ethoxyethyl]-1,3-thiazol-4-yl]methyl]-N-ethylpiperidine-3-carboxamide

C16H27N3O2S — CID 95632261

IUPAC(3R)-1-[[2-[(1R)-1-ethoxyethyl]-1,3-thiazol-4-yl]methyl]-N-ethylpiperidine-3-carboxamide
SMILESCCNC(=O)[C@@H]1CCCN(Cc2csc([C@@H](C)OCC)n2)C1
InChIInChI=1S/C16H27N3O2S/c1-4-17-15(20)13-7-6-8-19(9-13)10-14-11-22-16(18-14)12(3)21-5-2/h11-13H,4-10H2,1-3H3,(H,17,20)/t12-,13-/m1/s1
InChIKeyZPDPPOFJTQAJSZ-CHWSQXEVSA-N
MW325.48 g/mol
LogP2.59
Rot. Bonds7

About (3R)-1-[[2-[(1R)-1-ethoxyethyl]-1,3-thiazol-4-yl]methyl]-N-ethylpiperidine-3-carboxamide

(3R)-1-[[2-[(1R)-1-ethoxyethyl]-1,3-thiazol-4-yl]methyl]-N-ethylpiperidine-3-carboxamide (PubChem CID 95632261) has the molecular formula C16H27N3O2S and a molecular weight of 325.48 g/mol. Its IUPAC name is (3R)-1-[[2-[(1R)-1-ethoxyethyl]-1,3-thiazol-4-yl]methyl]-N-ethylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[[2-[(1R)-1-ethoxyethyl]-1,3-thiazol-4-yl]methyl]-N-ethylpiperidine-3-carboxamide
PubChem CID95632261
Molecular FormulaC16H27N3O2S
Molecular Weight325.48 g/mol
Exact Mass325.18
IUPAC Name(3R)-1-[[2-[(1R)-1-ethoxyethyl]-1,3-thiazol-4-yl]methyl]-N-ethylpiperidine-3-carboxamide
SMILESCCNC(=O)[C@@H]1CCCN(Cc2csc([C@@H](C)OCC)n2)C1
InChIInChI=1S/C16H27N3O2S/c1-4-17-15(20)13-7-6-8-19(9-13)10-14-11-22-16(18-14)12(3)21-5-2/h11-13H,4-10H2,1-3H3,(H,17,20)/t12-,13-/m1/s1
InChIKeyZPDPPOFJTQAJSZ-CHWSQXEVSA-N
XLogP2.59
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-1-[[2-[(1R)-1-ethoxyethyl]-1,3-thiazol-4-yl]methyl]-N-ethylpiperidine-3-carboxamide with MolForge

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Related Compounds

N-(2-aminoethyl)-1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide
CID 63252759
2-[(1S)-1-ethoxyethyl]-4-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 95773430
N-(2-aminoethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide
CID 63251974
1-[4-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120704760
morpholin-4-yl-[(3S)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanone
CID 94083807
1-[1-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]piperidin-2-yl]ethanol
CID 111434600
ethyl (3S)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxylate
CID 81339531
2-(1-ethoxyethyl)-4-[(4-ethylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole
CID 122157188
1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxylic acid
CID 43440901
1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-ol
CID 51086523
1-[[2-(hydrazinecarbonyl)-1,3-thiazol-4-yl]methyl]-N-methylpiperidine-3-carboxamide
CID 103198388
1-[4-[[2-[(1R)-1-ethoxyethyl]-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-3-methylbut-2-en-1-one
CID 96566929

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[[2-[(1R)-1-ethoxyethyl]-1,3-thiazol-4-yl]methyl]-N-ethylpiperidine-3-carboxamide?
The IUPAC name of (3R)-1-[[2-[(1R)-1-ethoxyethyl]-1,3-thiazol-4-yl]methyl]-N-ethylpiperidine-3-carboxamide (CID 95632261) is (3R)-1-[[2-[(1R)-1-ethoxyethyl]-1,3-thiazol-4-yl]methyl]-N-ethylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[[2-[(1R)-1-ethoxyethyl]-1,3-thiazol-4-yl]methyl]-N-ethylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[[2-[(1R)-1-ethoxyethyl]-1,3-thiazol-4-yl]methyl]-N-ethylpiperidine-3-carboxamide is CCNC(=O)[C@@H]1CCCN(Cc2csc([C@@H](C)OCC)n2)C1.
What is the InChIKey of (3R)-1-[[2-[(1R)-1-ethoxyethyl]-1,3-thiazol-4-yl]methyl]-N-ethylpiperidine-3-carboxamide?
The InChIKey is ZPDPPOFJTQAJSZ-CHWSQXEVSA-N. The full InChI is InChI=1S/C16H27N3O2S/c1-4-17-15(20)13-7-6-8-19(9-13)10-14-11-22-16(18-14)12(3)21-5-2/h11-13H,4-10H2,1-3H3,(H,17,20)/t12-,13-/m1/s1.
What are the key properties of (3R)-1-[[2-[(1R)-1-ethoxyethyl]-1,3-thiazol-4-yl]methyl]-N-ethylpiperidine-3-carboxamide?
(3R)-1-[[2-[(1R)-1-ethoxyethyl]-1,3-thiazol-4-yl]methyl]-N-ethylpiperidine-3-carboxamide has a molecular weight of 325.48 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[[2-[(1R)-1-ethoxyethyl]-1,3-thiazol-4-yl]methyl]-N-ethylpiperidine-3-carboxamide is sourced from PubChem (CID 95632261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).