(2-iodophenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone

C16H21IN2O — CID 63256547

IUPAC(2-iodophenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
SMILESO=C(c1ccccc1I)N1CCCCC1C1CCCN1
InChIInChI=1S/C16H21IN2O/c17-13-7-2-1-6-12(13)16(20)19-11-4-3-9-15(19)14-8-5-10-18-14/h1-2,6-7,14-15,18H,3-5,8-11H2
InChIKeySMSVLHOGDSYRIP-UHFFFAOYSA-N
MW384.26 g/mol
LogP3.04
Rot. Bonds2

About (2-iodophenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone

(2-iodophenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone (PubChem CID 63256547) has the molecular formula C16H21IN2O and a molecular weight of 384.26 g/mol. Its IUPAC name is (2-iodophenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-iodophenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
PubChem CID63256547
Molecular FormulaC16H21IN2O
Molecular Weight384.26 g/mol
Exact Mass384.07
IUPAC Name(2-iodophenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
SMILESO=C(c1ccccc1I)N1CCCCC1C1CCCN1
InChIInChI=1S/C16H21IN2O/c17-13-7-2-1-6-12(13)16(20)19-11-4-3-9-15(19)14-8-5-10-18-14/h1-2,6-7,14-15,18H,3-5,8-11H2
InChIKeySMSVLHOGDSYRIP-UHFFFAOYSA-N
XLogP3.04
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.26
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-iodophenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The IUPAC name of (2-iodophenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone (CID 63256547) is (2-iodophenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-iodophenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for (2-iodophenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone is O=C(c1ccccc1I)N1CCCCC1C1CCCN1.
What is the InChIKey of (2-iodophenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The InChIKey is SMSVLHOGDSYRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21IN2O/c17-13-7-2-1-6-12(13)16(20)19-11-4-3-9-15(19)14-8-5-10-18-14/h1-2,6-7,14-15,18H,3-5,8-11H2.
What are the key properties of (2-iodophenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone?
(2-iodophenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone has a molecular weight of 384.26 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-iodophenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 63256547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).