5-(4-iodophenyl)-N-[(1S)-2-(methylamino)-2-oxo-1-piperidin-4-ylethyl]furan-2-carboxamide

C19H22IN3O3 — CID 70669277

IUPAC5-(4-iodophenyl)-N-[(1S)-2-(methylamino)-2-oxo-1-piperidin-4-ylethyl]furan-2-carboxamide
SMILESCNC(=O)[C@@H](NC(=O)c1ccc(-c2ccc(I)cc2)o1)C1CCNCC1
InChIInChI=1S/C19H22IN3O3/c1-21-19(25)17(13-8-10-22-11-9-13)23-18(24)16-7-6-15(26-16)12-2-4-14(20)5-3-12/h2-7,13,17,22H,8-11H2,1H3,(H,21,25)(H,23,24)/t17-/m0/s1
InChIKeyKZSSTHZUDMABMG-KRWDZBQOSA-N
MW467.31 g/mol
LogP2.40
Rot. Bonds5

About 5-(4-iodophenyl)-N-[(1S)-2-(methylamino)-2-oxo-1-piperidin-4-ylethyl]furan-2-carboxamide

5-(4-iodophenyl)-N-[(1S)-2-(methylamino)-2-oxo-1-piperidin-4-ylethyl]furan-2-carboxamide (PubChem CID 70669277) has the molecular formula C19H22IN3O3 and a molecular weight of 467.31 g/mol. Its IUPAC name is 5-(4-iodophenyl)-N-[(1S)-2-(methylamino)-2-oxo-1-piperidin-4-ylethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(4-iodophenyl)-N-[(1S)-2-(methylamino)-2-oxo-1-piperidin-4-ylethyl]furan-2-carboxamide
PubChem CID70669277
Molecular FormulaC19H22IN3O3
Molecular Weight467.31 g/mol
Exact Mass467.07
IUPAC Name5-(4-iodophenyl)-N-[(1S)-2-(methylamino)-2-oxo-1-piperidin-4-ylethyl]furan-2-carboxamide
SMILESCNC(=O)[C@@H](NC(=O)c1ccc(-c2ccc(I)cc2)o1)C1CCNCC1
InChIInChI=1S/C19H22IN3O3/c1-21-19(25)17(13-8-10-22-11-9-13)23-18(24)16-7-6-15(26-16)12-2-4-14(20)5-3-12/h2-7,13,17,22H,8-11H2,1H3,(H,21,25)(H,23,24)/t17-/m0/s1
InChIKeyKZSSTHZUDMABMG-KRWDZBQOSA-N
XLogP2.40
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.31
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-iodophenyl)-N-[(1S)-2-(methylamino)-2-oxo-1-piperidin-4-ylethyl]furan-2-carboxamide?
The IUPAC name of 5-(4-iodophenyl)-N-[(1S)-2-(methylamino)-2-oxo-1-piperidin-4-ylethyl]furan-2-carboxamide (CID 70669277) is 5-(4-iodophenyl)-N-[(1S)-2-(methylamino)-2-oxo-1-piperidin-4-ylethyl]furan-2-carboxamide.
What is the SMILES notation for 5-(4-iodophenyl)-N-[(1S)-2-(methylamino)-2-oxo-1-piperidin-4-ylethyl]furan-2-carboxamide?
The canonical SMILES for 5-(4-iodophenyl)-N-[(1S)-2-(methylamino)-2-oxo-1-piperidin-4-ylethyl]furan-2-carboxamide is CNC(=O)[C@@H](NC(=O)c1ccc(-c2ccc(I)cc2)o1)C1CCNCC1.
What is the InChIKey of 5-(4-iodophenyl)-N-[(1S)-2-(methylamino)-2-oxo-1-piperidin-4-ylethyl]furan-2-carboxamide?
The InChIKey is KZSSTHZUDMABMG-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H22IN3O3/c1-21-19(25)17(13-8-10-22-11-9-13)23-18(24)16-7-6-15(26-16)12-2-4-14(20)5-3-12/h2-7,13,17,22H,8-11H2,1H3,(H,21,25)(H,23,24)/t17-/m0/s1.
What are the key properties of 5-(4-iodophenyl)-N-[(1S)-2-(methylamino)-2-oxo-1-piperidin-4-ylethyl]furan-2-carboxamide?
5-(4-iodophenyl)-N-[(1S)-2-(methylamino)-2-oxo-1-piperidin-4-ylethyl]furan-2-carboxamide has a molecular weight of 467.31 g/mol, XLogP of 2.40, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-iodophenyl)-N-[(1S)-2-(methylamino)-2-oxo-1-piperidin-4-ylethyl]furan-2-carboxamide is sourced from PubChem (CID 70669277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).