ethyl N-[(3R)-1-[(1R,2S)-2-(5-methylthiophen-2-yl)cyclopropanecarbonyl]piperidin-3-yl]carbamate

C17H24N2O3S — CID 95293945

IUPACethyl N-[(3R)-1-[(1R,2S)-2-(5-methylthiophen-2-yl)cyclopropanecarbonyl]piperidin-3-yl]carbamate
SMILESCCOC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2c2ccc(C)s2)C1
InChIInChI=1S/C17H24N2O3S/c1-3-22-17(21)18-12-5-4-8-19(10-12)16(20)14-9-13(14)15-7-6-11(2)23-15/h6-7,12-14H,3-5,8-10H2,1-2H3,(H,18,21)/t12-,13+,14-/m1/s1
InChIKeyWEJFECMZGLMGKN-HZSPNIEDSA-N
MW336.46 g/mol
LogP2.90
Rot. Bonds4

About ethyl N-[(3R)-1-[(1R,2S)-2-(5-methylthiophen-2-yl)cyclopropanecarbonyl]piperidin-3-yl]carbamate

ethyl N-[(3R)-1-[(1R,2S)-2-(5-methylthiophen-2-yl)cyclopropanecarbonyl]piperidin-3-yl]carbamate (PubChem CID 95293945) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is ethyl N-[(3R)-1-[(1R,2S)-2-(5-methylthiophen-2-yl)cyclopropanecarbonyl]piperidin-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[(3R)-1-[(1R,2S)-2-(5-methylthiophen-2-yl)cyclopropanecarbonyl]piperidin-3-yl]carbamate
PubChem CID95293945
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC Nameethyl N-[(3R)-1-[(1R,2S)-2-(5-methylthiophen-2-yl)cyclopropanecarbonyl]piperidin-3-yl]carbamate
SMILESCCOC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2c2ccc(C)s2)C1
InChIInChI=1S/C17H24N2O3S/c1-3-22-17(21)18-12-5-4-8-19(10-12)16(20)14-9-13(14)15-7-6-11(2)23-15/h6-7,12-14H,3-5,8-10H2,1-2H3,(H,18,21)/t12-,13+,14-/m1/s1
InChIKeyWEJFECMZGLMGKN-HZSPNIEDSA-N
XLogP2.90
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl N-[(3R)-1-[(1R,2S)-2-(5-methylthiophen-2-yl)cyclopropanecarbonyl]piperidin-3-yl]carbamate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(3R)-1-[(1R,2S)-2-(5-methylthiophen-2-yl)cyclopropanecarbonyl]piperidin-3-yl]carbamate?
The IUPAC name of ethyl N-[(3R)-1-[(1R,2S)-2-(5-methylthiophen-2-yl)cyclopropanecarbonyl]piperidin-3-yl]carbamate (CID 95293945) is ethyl N-[(3R)-1-[(1R,2S)-2-(5-methylthiophen-2-yl)cyclopropanecarbonyl]piperidin-3-yl]carbamate.
What is the SMILES notation for ethyl N-[(3R)-1-[(1R,2S)-2-(5-methylthiophen-2-yl)cyclopropanecarbonyl]piperidin-3-yl]carbamate?
The canonical SMILES for ethyl N-[(3R)-1-[(1R,2S)-2-(5-methylthiophen-2-yl)cyclopropanecarbonyl]piperidin-3-yl]carbamate is CCOC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2c2ccc(C)s2)C1.
What is the InChIKey of ethyl N-[(3R)-1-[(1R,2S)-2-(5-methylthiophen-2-yl)cyclopropanecarbonyl]piperidin-3-yl]carbamate?
The InChIKey is WEJFECMZGLMGKN-HZSPNIEDSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-3-22-17(21)18-12-5-4-8-19(10-12)16(20)14-9-13(14)15-7-6-11(2)23-15/h6-7,12-14H,3-5,8-10H2,1-2H3,(H,18,21)/t12-,13+,14-/m1/s1.
What are the key properties of ethyl N-[(3R)-1-[(1R,2S)-2-(5-methylthiophen-2-yl)cyclopropanecarbonyl]piperidin-3-yl]carbamate?
ethyl N-[(3R)-1-[(1R,2S)-2-(5-methylthiophen-2-yl)cyclopropanecarbonyl]piperidin-3-yl]carbamate has a molecular weight of 336.46 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(3R)-1-[(1R,2S)-2-(5-methylthiophen-2-yl)cyclopropanecarbonyl]piperidin-3-yl]carbamate is sourced from PubChem (CID 95293945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).