[1-[2-(5-chlorothiophen-3-yl)-2-(1-hydroxycyclohexyl)ethyl]piperidin-4-yl]carbamic acid

C18H27ClN2O3S — CID 69253939

IUPAC[1-[2-(5-chlorothiophen-3-yl)-2-(1-hydroxycyclohexyl)ethyl]piperidin-4-yl]carbamic acid
SMILESO=C(O)NC1CCN(CC(c2csc(Cl)c2)C2(O)CCCCC2)CC1
InChIInChI=1S/C18H27ClN2O3S/c19-16-10-13(12-25-16)15(18(24)6-2-1-3-7-18)11-21-8-4-14(5-9-21)20-17(22)23/h10,12,14-15,20,24H,1-9,11H2,(H,22,23)
InChIKeyMZRIYVSFXRCRKG-UHFFFAOYSA-N
MW386.95 g/mol
LogP3.91
Rot. Bonds5

About [1-[2-(5-chlorothiophen-3-yl)-2-(1-hydroxycyclohexyl)ethyl]piperidin-4-yl]carbamic acid

[1-[2-(5-chlorothiophen-3-yl)-2-(1-hydroxycyclohexyl)ethyl]piperidin-4-yl]carbamic acid (PubChem CID 69253939) has the molecular formula C18H27ClN2O3S and a molecular weight of 386.95 g/mol. Its IUPAC name is [1-[2-(5-chlorothiophen-3-yl)-2-(1-hydroxycyclohexyl)ethyl]piperidin-4-yl]carbamic acid.

Molecular Properties

Compound Name[1-[2-(5-chlorothiophen-3-yl)-2-(1-hydroxycyclohexyl)ethyl]piperidin-4-yl]carbamic acid
PubChem CID69253939
Molecular FormulaC18H27ClN2O3S
Molecular Weight386.95 g/mol
Exact Mass386.14
IUPAC Name[1-[2-(5-chlorothiophen-3-yl)-2-(1-hydroxycyclohexyl)ethyl]piperidin-4-yl]carbamic acid
SMILESO=C(O)NC1CCN(CC(c2csc(Cl)c2)C2(O)CCCCC2)CC1
InChIInChI=1S/C18H27ClN2O3S/c19-16-10-13(12-25-16)15(18(24)6-2-1-3-7-18)11-21-8-4-14(5-9-21)20-17(22)23/h10,12,14-15,20,24H,1-9,11H2,(H,22,23)
InChIKeyMZRIYVSFXRCRKG-UHFFFAOYSA-N
XLogP3.91
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.95
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [1-[2-(5-chlorothiophen-3-yl)-2-(1-hydroxycyclohexyl)ethyl]piperidin-4-yl]carbamic acid 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 [1-[2-(5-chlorothiophen-3-yl)-2-(1-hydroxycyclohexyl)ethyl]piperidin-4-yl]carbamic acid?
The IUPAC name of [1-[2-(5-chlorothiophen-3-yl)-2-(1-hydroxycyclohexyl)ethyl]piperidin-4-yl]carbamic acid (CID 69253939) is [1-[2-(5-chlorothiophen-3-yl)-2-(1-hydroxycyclohexyl)ethyl]piperidin-4-yl]carbamic acid.
What is the SMILES notation for [1-[2-(5-chlorothiophen-3-yl)-2-(1-hydroxycyclohexyl)ethyl]piperidin-4-yl]carbamic acid?
The canonical SMILES for [1-[2-(5-chlorothiophen-3-yl)-2-(1-hydroxycyclohexyl)ethyl]piperidin-4-yl]carbamic acid is O=C(O)NC1CCN(CC(c2csc(Cl)c2)C2(O)CCCCC2)CC1.
What is the InChIKey of [1-[2-(5-chlorothiophen-3-yl)-2-(1-hydroxycyclohexyl)ethyl]piperidin-4-yl]carbamic acid?
The InChIKey is MZRIYVSFXRCRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2O3S/c19-16-10-13(12-25-16)15(18(24)6-2-1-3-7-18)11-21-8-4-14(5-9-21)20-17(22)23/h10,12,14-15,20,24H,1-9,11H2,(H,22,23).
What are the key properties of [1-[2-(5-chlorothiophen-3-yl)-2-(1-hydroxycyclohexyl)ethyl]piperidin-4-yl]carbamic acid?
[1-[2-(5-chlorothiophen-3-yl)-2-(1-hydroxycyclohexyl)ethyl]piperidin-4-yl]carbamic acid has a molecular weight of 386.95 g/mol, XLogP of 3.91, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(5-chlorothiophen-3-yl)-2-(1-hydroxycyclohexyl)ethyl]piperidin-4-yl]carbamic acid is sourced from PubChem (CID 69253939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).