benzyl N-[(3S)-1-(4-iodophenyl)-2-oxopiperidin-3-yl]carbamate

C19H19IN2O3 — CID 58778178

IUPACbenzyl N-[(3S)-1-(4-iodophenyl)-2-oxopiperidin-3-yl]carbamate
SMILESO=C(N[C@H]1CCCN(c2ccc(I)cc2)C1=O)OCc1ccccc1
InChIInChI=1S/C19H19IN2O3/c20-15-8-10-16(11-9-15)22-12-4-7-17(18(22)23)21-19(24)25-13-14-5-2-1-3-6-14/h1-3,5-6,8-11,17H,4,7,12-13H2,(H,21,24)/t17-/m0/s1
InChIKeyUBVYYWAVEBBTRN-KRWDZBQOSA-N
MW450.28 g/mol
LogP3.71
Rot. Bonds4

About benzyl N-[(3S)-1-(4-iodophenyl)-2-oxopiperidin-3-yl]carbamate

benzyl N-[(3S)-1-(4-iodophenyl)-2-oxopiperidin-3-yl]carbamate (PubChem CID 58778178) has the molecular formula C19H19IN2O3 and a molecular weight of 450.28 g/mol. Its IUPAC name is benzyl N-[(3S)-1-(4-iodophenyl)-2-oxopiperidin-3-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(3S)-1-(4-iodophenyl)-2-oxopiperidin-3-yl]carbamate
PubChem CID58778178
Molecular FormulaC19H19IN2O3
Molecular Weight450.28 g/mol
Exact Mass450.04
IUPAC Namebenzyl N-[(3S)-1-(4-iodophenyl)-2-oxopiperidin-3-yl]carbamate
SMILESO=C(N[C@H]1CCCN(c2ccc(I)cc2)C1=O)OCc1ccccc1
InChIInChI=1S/C19H19IN2O3/c20-15-8-10-16(11-9-15)22-12-4-7-17(18(22)23)21-19(24)25-13-14-5-2-1-3-6-14/h1-3,5-6,8-11,17H,4,7,12-13H2,(H,21,24)/t17-/m0/s1
InChIKeyUBVYYWAVEBBTRN-KRWDZBQOSA-N
XLogP3.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.28
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze benzyl N-[(3S)-1-(4-iodophenyl)-2-oxopiperidin-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

Related Compounds

benzyl N-(1-methyl-2-oxopiperidin-3-yl)carbamate
CID 58782089
methyl 2-[(3R)-2-oxo-3-(phenylmethoxycarbonylamino)piperidin-1-yl]acetate
CID 71228630
benzyl N-[(1S)-2-oxocyclohexyl]carbamate
CID 14219049
2-(4-aminophenyl)-N-(2-oxo-1-phenylpiperidin-3-yl)acetamide;hydrochloride
CID 119787581
(3S,6S)-5-oxo-6-(phenylmethoxycarbonylamino)-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepine-3-carboxylic acid
CID 58573005
ethyl 2-[(3S)-2-oxo-3-(phenylmethoxycarbonylamino)azepan-1-yl]oxyacetate
CID 101191342
benzyl N-[(3S)-1-amino-2-oxoazetidin-3-yl]carbamate
CID 13132707
benzyl N-(1-cyano-2-methyl-3-oxodiazinan-4-yl)carbamate
CID 78099211
benzyl N-(5-oxo-2,3,4,7,8,9,10,10a-octahydropyrido[2,1-b][1,3]thiazepin-4-yl)carbamate
CID 77475000
tert-butyl 2-[(3S)-2-oxo-3-(phenylmethoxycarbonylamino)azepan-1-yl]acetate
CID 56630789
tert-butyl 2-[2-oxo-3-(phenylmethoxycarbonylamino)azepan-1-yl]acetate
CID 22946050
benzyl N-[(2R,3S,6S,9aR)-3-benzyl-2-hydroxy-5-oxo-3,6,7,8,9,9a-hexahydro-2H-[1,3]oxazolo[3,2-a]azepin-6-yl]carbamate;benzyl N-[(2S,3R,6S,9aR)-3-benzyl-2-hydroxy-5-oxo-3,6,7,8,9,9a-hexahydro-2H-[1,3]oxazolo[3,2-a]azepin-6-yl]carbamate
CID 56672908

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(3S)-1-(4-iodophenyl)-2-oxopiperidin-3-yl]carbamate?
The IUPAC name of benzyl N-[(3S)-1-(4-iodophenyl)-2-oxopiperidin-3-yl]carbamate (CID 58778178) is benzyl N-[(3S)-1-(4-iodophenyl)-2-oxopiperidin-3-yl]carbamate.
What is the SMILES notation for benzyl N-[(3S)-1-(4-iodophenyl)-2-oxopiperidin-3-yl]carbamate?
The canonical SMILES for benzyl N-[(3S)-1-(4-iodophenyl)-2-oxopiperidin-3-yl]carbamate is O=C(N[C@H]1CCCN(c2ccc(I)cc2)C1=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(3S)-1-(4-iodophenyl)-2-oxopiperidin-3-yl]carbamate?
The InChIKey is UBVYYWAVEBBTRN-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H19IN2O3/c20-15-8-10-16(11-9-15)22-12-4-7-17(18(22)23)21-19(24)25-13-14-5-2-1-3-6-14/h1-3,5-6,8-11,17H,4,7,12-13H2,(H,21,24)/t17-/m0/s1.
What are the key properties of benzyl N-[(3S)-1-(4-iodophenyl)-2-oxopiperidin-3-yl]carbamate?
benzyl N-[(3S)-1-(4-iodophenyl)-2-oxopiperidin-3-yl]carbamate has a molecular weight of 450.28 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(3S)-1-(4-iodophenyl)-2-oxopiperidin-3-yl]carbamate is sourced from PubChem (CID 58778178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).