(5-chloro-2-iodophenyl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone

C16H20ClIN2O — CID 103832102

IUPAC(5-chloro-2-iodophenyl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone
SMILESO=C(c1cc(Cl)ccc1I)N1CCCC(C2CCCN2)C1
InChIInChI=1S/C16H20ClIN2O/c17-12-5-6-14(18)13(9-12)16(21)20-8-2-3-11(10-20)15-4-1-7-19-15/h5-6,9,11,15,19H,1-4,7-8,10H2
InChIKeyHKPQQMYRGAZXGH-UHFFFAOYSA-N
MW418.71 g/mol
LogP3.55
Rot. Bonds2

About (5-chloro-2-iodophenyl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone

(5-chloro-2-iodophenyl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone (PubChem CID 103832102) has the molecular formula C16H20ClIN2O and a molecular weight of 418.71 g/mol. Its IUPAC name is (5-chloro-2-iodophenyl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-chloro-2-iodophenyl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone
PubChem CID103832102
Molecular FormulaC16H20ClIN2O
Molecular Weight418.71 g/mol
Exact Mass418.03
IUPAC Name(5-chloro-2-iodophenyl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone
SMILESO=C(c1cc(Cl)ccc1I)N1CCCC(C2CCCN2)C1
InChIInChI=1S/C16H20ClIN2O/c17-12-5-6-14(18)13(9-12)16(21)20-8-2-3-11(10-20)15-4-1-7-19-15/h5-6,9,11,15,19H,1-4,7-8,10H2
InChIKeyHKPQQMYRGAZXGH-UHFFFAOYSA-N
XLogP3.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.71
LogP ≤ 53.55
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

(2,5-dichlorophenyl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 60978829
(5-chloro-2-fluorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63259160
(2-hydroxyphenyl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 60978290
(3,5-dimethylphenyl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 60979101
1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl-(2-iodophenyl)methanone
CID 102680344
[(3R)-3-aminopyrrolidin-1-yl]-(5-chloro-2-iodophenyl)methanone
CID 103805035
(2-iodophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;hydrochloride
CID 119999409
3-[(3S)-1-(5-chloro-2-iodobenzoyl)piperidin-3-yl]propanamide
CID 52877022
[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-(4-chlorophenyl)methanone
CID 102679580
(5-bromothiophen-3-yl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 103832103
(5-hydroxy-3-pyridinyl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63851017
(4-amino-3-methylpiperidin-1-yl)-(5-chloro-2-iodophenyl)methanone;hydrochloride
CID 119592350

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-iodophenyl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The IUPAC name of (5-chloro-2-iodophenyl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone (CID 103832102) is (5-chloro-2-iodophenyl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-chloro-2-iodophenyl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for (5-chloro-2-iodophenyl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone is O=C(c1cc(Cl)ccc1I)N1CCCC(C2CCCN2)C1.
What is the InChIKey of (5-chloro-2-iodophenyl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The InChIKey is HKPQQMYRGAZXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClIN2O/c17-12-5-6-14(18)13(9-12)16(21)20-8-2-3-11(10-20)15-4-1-7-19-15/h5-6,9,11,15,19H,1-4,7-8,10H2.
What are the key properties of (5-chloro-2-iodophenyl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone?
(5-chloro-2-iodophenyl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone has a molecular weight of 418.71 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-iodophenyl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 103832102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).