(3S)-3-(ethoxymethyl)-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide

C14H23N3O2S — CID 95905079

IUPAC(3S)-3-(ethoxymethyl)-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide
SMILESCCOC[C@H]1CCCN(C(=O)N[C@@H](C)c2nccs2)C1
InChIInChI=1S/C14H23N3O2S/c1-3-19-10-12-5-4-7-17(9-12)14(18)16-11(2)13-15-6-8-20-13/h6,8,11-12H,3-5,7,9-10H2,1-2H3,(H,16,18)/t11-,12-/m0/s1
InChIKeyXUAMKXRAUSHYPI-RYUDHWBXSA-N
MW297.42 g/mol
LogP2.66
Rot. Bonds5

About (3S)-3-(ethoxymethyl)-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide

(3S)-3-(ethoxymethyl)-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide (PubChem CID 95905079) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is (3S)-3-(ethoxymethyl)-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-(ethoxymethyl)-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide
PubChem CID95905079
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name(3S)-3-(ethoxymethyl)-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide
SMILESCCOC[C@H]1CCCN(C(=O)N[C@@H](C)c2nccs2)C1
InChIInChI=1S/C14H23N3O2S/c1-3-19-10-12-5-4-7-17(9-12)14(18)16-11(2)13-15-6-8-20-13/h6,8,11-12H,3-5,7,9-10H2,1-2H3,(H,16,18)/t11-,12-/m0/s1
InChIKeyXUAMKXRAUSHYPI-RYUDHWBXSA-N
XLogP2.66
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-3-(ethoxymethyl)-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]piperidine-1-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

N-butan-2-yl-3-(ethoxymethyl)piperidine-1-carboxamide
CID 110610311
3-hydroxy-N-[1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide
CID 111439100
3-(ethoxymethyl)-N-[(3-methylthiophen-2-yl)methyl]piperidine-1-carboxamide
CID 56790214
tert-butyl (3R)-3-[[(1S)-1-(1,3-thiazol-2-yl)ethoxy]methyl]piperidine-1-carboxylate
CID 97175883
(2R)-2-amino-1-[(3R)-3-(ethoxymethyl)piperidin-1-yl]propan-1-one
CID 129393445
3-(methoxymethyl)-1-[1-(1,3-thiazol-2-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 155955390
2-(1-ethylpiperidin-4-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide
CID 72845666
2-ethyl-1-[1-(1,3-thiazol-2-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 83070624
tert-butyl (3R)-3-[[(1S)-1-(1,3-thiazol-2-yl)ethyl]amino]piperidine-1-carboxylate
CID 96563340
tert-butyl (3S)-3-[[(1R)-1-(1,3-thiazol-2-yl)ethyl]amino]piperidine-1-carboxylate
CID 96563343
N-[1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide
CID 115642007
1-[3-(ethoxymethyl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 110418083

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(ethoxymethyl)-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide?
The IUPAC name of (3S)-3-(ethoxymethyl)-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide (CID 95905079) is (3S)-3-(ethoxymethyl)-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-(ethoxymethyl)-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide?
The canonical SMILES for (3S)-3-(ethoxymethyl)-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide is CCOC[C@H]1CCCN(C(=O)N[C@@H](C)c2nccs2)C1.
What is the InChIKey of (3S)-3-(ethoxymethyl)-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide?
The InChIKey is XUAMKXRAUSHYPI-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-3-19-10-12-5-4-7-17(9-12)14(18)16-11(2)13-15-6-8-20-13/h6,8,11-12H,3-5,7,9-10H2,1-2H3,(H,16,18)/t11-,12-/m0/s1.
What are the key properties of (3S)-3-(ethoxymethyl)-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide?
(3S)-3-(ethoxymethyl)-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide has a molecular weight of 297.42 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(ethoxymethyl)-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 95905079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).