(3R,4S)-N-cyclohexyl-3-ethyl-4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-1-carboxamide

C19H30N4O2S — CID 11912450

IUPAC(3R,4S)-N-cyclohexyl-3-ethyl-4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-1-carboxamide
SMILESCC[C@H]1CN(C(=O)NC2CCCCC2)CC[C@H]1CC(=O)Nc1nccs1
InChIInChI=1S/C19H30N4O2S/c1-2-14-13-23(19(25)21-16-6-4-3-5-7-16)10-8-15(14)12-17(24)22-18-20-9-11-26-18/h9,11,14-16H,2-8,10,12-13H2,1H3,(H,21,25)(H,20,22,24)/t14-,15-/m0/s1
InChIKeyWEMGMPKTWSLSHM-GJZGRUSLSA-N
MW378.54 g/mol
LogP3.86
Rot. Bonds5

About (3R,4S)-N-cyclohexyl-3-ethyl-4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-1-carboxamide

(3R,4S)-N-cyclohexyl-3-ethyl-4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-1-carboxamide (PubChem CID 11912450) has the molecular formula C19H30N4O2S and a molecular weight of 378.54 g/mol. Its IUPAC name is (3R,4S)-N-cyclohexyl-3-ethyl-4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R,4S)-N-cyclohexyl-3-ethyl-4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-1-carboxamide
PubChem CID11912450
Molecular FormulaC19H30N4O2S
Molecular Weight378.54 g/mol
Exact Mass378.21
IUPAC Name(3R,4S)-N-cyclohexyl-3-ethyl-4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-1-carboxamide
SMILESCC[C@H]1CN(C(=O)NC2CCCCC2)CC[C@H]1CC(=O)Nc1nccs1
InChIInChI=1S/C19H30N4O2S/c1-2-14-13-23(19(25)21-16-6-4-3-5-7-16)10-8-15(14)12-17(24)22-18-20-9-11-26-18/h9,11,14-16H,2-8,10,12-13H2,1H3,(H,21,25)(H,20,22,24)/t14-,15-/m0/s1
InChIKeyWEMGMPKTWSLSHM-GJZGRUSLSA-N
XLogP3.86
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.54
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-N-cyclohexyl-3-ethyl-4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-1-carboxamide?
The IUPAC name of (3R,4S)-N-cyclohexyl-3-ethyl-4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-1-carboxamide (CID 11912450) is (3R,4S)-N-cyclohexyl-3-ethyl-4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for (3R,4S)-N-cyclohexyl-3-ethyl-4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-1-carboxamide?
The canonical SMILES for (3R,4S)-N-cyclohexyl-3-ethyl-4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-1-carboxamide is CC[C@H]1CN(C(=O)NC2CCCCC2)CC[C@H]1CC(=O)Nc1nccs1.
What is the InChIKey of (3R,4S)-N-cyclohexyl-3-ethyl-4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-1-carboxamide?
The InChIKey is WEMGMPKTWSLSHM-GJZGRUSLSA-N. The full InChI is InChI=1S/C19H30N4O2S/c1-2-14-13-23(19(25)21-16-6-4-3-5-7-16)10-8-15(14)12-17(24)22-18-20-9-11-26-18/h9,11,14-16H,2-8,10,12-13H2,1H3,(H,21,25)(H,20,22,24)/t14-,15-/m0/s1.
What are the key properties of (3R,4S)-N-cyclohexyl-3-ethyl-4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-1-carboxamide?
(3R,4S)-N-cyclohexyl-3-ethyl-4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-1-carboxamide has a molecular weight of 378.54 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-N-cyclohexyl-3-ethyl-4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 11912450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).