phenyl N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]carbamate

C18H20N2O3S — CID 110820702

IUPACphenyl N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]carbamate
SMILESO=C(NC1CCN(C(=O)Cc2cccs2)CC1)Oc1ccccc1
InChIInChI=1S/C18H20N2O3S/c21-17(13-16-7-4-12-24-16)20-10-8-14(9-11-20)19-18(22)23-15-5-2-1-3-6-15/h1-7,12,14H,8-11,13H2,(H,19,22)
InChIKeyWMYZOZODVOMSOK-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.07
Rot. Bonds4

About phenyl N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]carbamate

phenyl N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]carbamate (PubChem CID 110820702) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is phenyl N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Namephenyl N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]carbamate
PubChem CID110820702
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Namephenyl N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]carbamate
SMILESO=C(NC1CCN(C(=O)Cc2cccs2)CC1)Oc1ccccc1
InChIInChI=1S/C18H20N2O3S/c21-17(13-16-7-4-12-24-16)20-10-8-14(9-11-20)19-18(22)23-15-5-2-1-3-6-15/h1-7,12,14H,8-11,13H2,(H,19,22)
InChIKeyWMYZOZODVOMSOK-UHFFFAOYSA-N
XLogP3.07
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenoxy-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]propanamide
CID 108554925
1-phenyl-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]urea
CID 86834875
2-[[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]carbamoyl]benzoic acid
CID 113083187
1-cyclohexyl-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]urea
CID 110820715
2-(4-ethoxyphenyl)-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]acetamide
CID 108553940
methyl 4-oxo-4-[4-(phenoxycarbonylamino)piperidin-1-yl]butanoate
CID 110819826
2-cyano-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]acetamide
CID 108548385
2-(4-chlorophenoxy)-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]acetamide
CID 108554335
ethyl 4-oxo-4-[[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]amino]butanoate
CID 108565657
phenyl N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]carbamate
CID 108567349
N-cycloheptyl-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide
CID 113005435
2-thiophen-2-yl-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone
CID 110364980

Frequently Asked Questions

What is the IUPAC name of phenyl N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]carbamate?
The IUPAC name of phenyl N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]carbamate (CID 110820702) is phenyl N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]carbamate.
What is the SMILES notation for phenyl N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]carbamate?
The canonical SMILES for phenyl N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]carbamate is O=C(NC1CCN(C(=O)Cc2cccs2)CC1)Oc1ccccc1.
What is the InChIKey of phenyl N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]carbamate?
The InChIKey is WMYZOZODVOMSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c21-17(13-16-7-4-12-24-16)20-10-8-14(9-11-20)19-18(22)23-15-5-2-1-3-6-15/h1-7,12,14H,8-11,13H2,(H,19,22).
What are the key properties of phenyl N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]carbamate?
phenyl N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]carbamate has a molecular weight of 344.44 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]carbamate is sourced from PubChem (CID 110820702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).