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

C19H20N2O3S — CID 108565830

IUPACphenyl N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]carbamate
SMILESO=C(NC1CCN(C(=O)c2ccccc2S)CC1)Oc1ccccc1
InChIInChI=1S/C19H20N2O3S/c22-18(16-8-4-5-9-17(16)25)21-12-10-14(11-13-21)20-19(23)24-15-6-2-1-3-7-15/h1-9,14,25H,10-13H2,(H,20,23)
InChIKeyAKPWCJCUIOEKCZ-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.37
Rot. Bonds3

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

phenyl N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]carbamate (PubChem CID 108565830) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is phenyl N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Namephenyl N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]carbamate
PubChem CID108565830
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC Namephenyl N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]carbamate
SMILESO=C(NC1CCN(C(=O)c2ccccc2S)CC1)Oc1ccccc1
InChIInChI=1S/C19H20N2O3S/c22-18(16-8-4-5-9-17(16)25)21-12-10-14(11-13-21)20-19(23)24-15-6-2-1-3-7-15/h1-9,14,25H,10-13H2,(H,20,23)
InChIKeyAKPWCJCUIOEKCZ-UHFFFAOYSA-N
XLogP3.37
TPSA58.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

methyl N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]carbamate
CID 108565841
phenyl N-[1-(cyclopropanecarbonyl)piperidin-4-yl]carbamate
CID 60725156
benzene;phenyl N-cyclopropylcarbamate
CID 171499901
2,6-dimethoxy-N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]benzamide
CID 108549795
4-bromo-N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]benzamide
CID 108550521
methyl 4-oxo-4-[4-(phenoxycarbonylamino)piperidin-1-yl]butanoate
CID 110819826
tert-butyl N-[3-oxo-3-[[1-(2-sulfanylbenzoyl)piperidin-4-yl]amino]propyl]carbamate
CID 108548266
N-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-sulfanylbenzamide
CID 108554674
tert-butyl N-[2-oxo-2-[[1-(2-sulfanylbenzoyl)piperidin-4-yl]amino]ethyl]carbamate
CID 108548176
phenyl N-[1-(tert-butylcarbamoyl)piperidin-4-yl]carbamate
CID 110822461
3,4-dimethyl-N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]benzamide
CID 108557610
phenyl N-cyclopentylcarbamate
CID 12791466

Frequently Asked Questions

What is the IUPAC name of phenyl N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]carbamate?
The IUPAC name of phenyl N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]carbamate (CID 108565830) is phenyl N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]carbamate.
What is the SMILES notation for phenyl N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]carbamate?
The canonical SMILES for phenyl N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]carbamate is O=C(NC1CCN(C(=O)c2ccccc2S)CC1)Oc1ccccc1.
What is the InChIKey of phenyl N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]carbamate?
The InChIKey is AKPWCJCUIOEKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c22-18(16-8-4-5-9-17(16)25)21-12-10-14(11-13-21)20-19(23)24-15-6-2-1-3-7-15/h1-9,14,25H,10-13H2,(H,20,23).
What are the key properties of phenyl N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]carbamate?
phenyl N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]carbamate has a molecular weight of 356.45 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]carbamate is sourced from PubChem (CID 108565830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).