1-(4-chloro-2-iodophenyl)-3-(propan-2-ylamino)piperidin-2-one

C14H18ClIN2O — CID 107639769

IUPAC1-(4-chloro-2-iodophenyl)-3-(propan-2-ylamino)piperidin-2-one
SMILESCC(C)NC1CCCN(c2ccc(Cl)cc2I)C1=O
InChIInChI=1S/C14H18ClIN2O/c1-9(2)17-12-4-3-7-18(14(12)19)13-6-5-10(15)8-11(13)16/h5-6,8-9,12,17H,3-4,7H2,1-2H3
InChIKeyUYGXKOCPYVLCGF-UHFFFAOYSA-N
MW392.67 g/mol
LogP3.44
Rot. Bonds3

About 1-(4-chloro-2-iodophenyl)-3-(propan-2-ylamino)piperidin-2-one

1-(4-chloro-2-iodophenyl)-3-(propan-2-ylamino)piperidin-2-one (PubChem CID 107639769) has the molecular formula C14H18ClIN2O and a molecular weight of 392.67 g/mol. Its IUPAC name is 1-(4-chloro-2-iodophenyl)-3-(propan-2-ylamino)piperidin-2-one.

Molecular Properties

Compound Name1-(4-chloro-2-iodophenyl)-3-(propan-2-ylamino)piperidin-2-one
PubChem CID107639769
Molecular FormulaC14H18ClIN2O
Molecular Weight392.67 g/mol
Exact Mass392.02
IUPAC Name1-(4-chloro-2-iodophenyl)-3-(propan-2-ylamino)piperidin-2-one
SMILESCC(C)NC1CCCN(c2ccc(Cl)cc2I)C1=O
InChIInChI=1S/C14H18ClIN2O/c1-9(2)17-12-4-3-7-18(14(12)19)13-6-5-10(15)8-11(13)16/h5-6,8-9,12,17H,3-4,7H2,1-2H3
InChIKeyUYGXKOCPYVLCGF-UHFFFAOYSA-N
XLogP3.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.67
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-bromo-2,3-dichlorophenyl)-3-(propan-2-ylamino)pyrrolidin-2-one
CID 107794247
N-[(3S)-1-(2,4-dichlorophenyl)-2-oxopiperidin-3-yl]-2-hydroxyacetamide
CID 124850811
N-[(3S)-1-(2,4-dichlorophenyl)-2-oxopiperidin-3-yl]-1-hydroxycyclopentane-1-carboxamide
CID 164637890
3-(propan-2-ylamino)-1-thiophen-3-ylpiperidin-2-one
CID 66356050
(3S)-1-(2-chlorophenyl)-3-[[(2R)-1-cyclopropylpropan-2-yl]amino]piperidin-2-one
CID 97318754
3-(4-chloro-2-iodophenyl)-3-azabicyclo[3.2.1]octane-2,4-dione
CID 107640934
1-[2-(2-methoxyethyl)phenyl]-3-(propan-2-ylamino)piperidin-2-one
CID 102908344
1-(3-bromo-5-methoxyphenyl)-3-(propan-2-ylamino)piperidin-2-one
CID 82860337
1-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3-(propan-2-ylamino)piperidin-2-one
CID 65475350
1-(2-bromo-4-iodophenyl)-3-(methylamino)piperidin-2-one
CID 114261349
1-(4-bromo-2,5-difluorophenyl)-3-(propan-2-ylamino)pyrrolidin-2-one
CID 107608068
1-(5-fluoro-3-pyridinyl)-3-(propan-2-ylamino)piperidin-2-one
CID 114253939

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-iodophenyl)-3-(propan-2-ylamino)piperidin-2-one?
The IUPAC name of 1-(4-chloro-2-iodophenyl)-3-(propan-2-ylamino)piperidin-2-one (CID 107639769) is 1-(4-chloro-2-iodophenyl)-3-(propan-2-ylamino)piperidin-2-one.
What is the SMILES notation for 1-(4-chloro-2-iodophenyl)-3-(propan-2-ylamino)piperidin-2-one?
The canonical SMILES for 1-(4-chloro-2-iodophenyl)-3-(propan-2-ylamino)piperidin-2-one is CC(C)NC1CCCN(c2ccc(Cl)cc2I)C1=O.
What is the InChIKey of 1-(4-chloro-2-iodophenyl)-3-(propan-2-ylamino)piperidin-2-one?
The InChIKey is UYGXKOCPYVLCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClIN2O/c1-9(2)17-12-4-3-7-18(14(12)19)13-6-5-10(15)8-11(13)16/h5-6,8-9,12,17H,3-4,7H2,1-2H3.
What are the key properties of 1-(4-chloro-2-iodophenyl)-3-(propan-2-ylamino)piperidin-2-one?
1-(4-chloro-2-iodophenyl)-3-(propan-2-ylamino)piperidin-2-one has a molecular weight of 392.67 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-iodophenyl)-3-(propan-2-ylamino)piperidin-2-one is sourced from PubChem (CID 107639769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).