(4-iodophenyl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone

C16H21IN2O — CID 63524427

IUPAC(4-iodophenyl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1ccc(I)cc1)N1CCC(N2CCCCC2)C1
InChIInChI=1S/C16H21IN2O/c17-14-6-4-13(5-7-14)16(20)19-11-8-15(12-19)18-9-2-1-3-10-18/h4-7,15H,1-3,8-12H2
InChIKeyYVQLTKLHIKMNBK-UHFFFAOYSA-N
MW384.26 g/mol
LogP2.99
Rot. Bonds2

About (4-iodophenyl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone

(4-iodophenyl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone (PubChem CID 63524427) has the molecular formula C16H21IN2O and a molecular weight of 384.26 g/mol. Its IUPAC name is (4-iodophenyl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(4-iodophenyl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone
PubChem CID63524427
Molecular FormulaC16H21IN2O
Molecular Weight384.26 g/mol
Exact Mass384.07
IUPAC Name(4-iodophenyl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1ccc(I)cc1)N1CCC(N2CCCCC2)C1
InChIInChI=1S/C16H21IN2O/c17-14-6-4-13(5-7-14)16(20)19-11-8-15(12-19)18-9-2-1-3-10-18/h4-7,15H,1-3,8-12H2
InChIKeyYVQLTKLHIKMNBK-UHFFFAOYSA-N
XLogP2.99
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.26
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4-iodophenyl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone 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

[(3R)-1-(4-iodobenzoyl)pyrrolidin-3-yl] methanesulfonate;(4-iodophenyl)-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]methanone
CID 158534156
[4-(4-piperidin-1-ylpiperidine-1-carbonyl)phenyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 70679311
(3-pyrrolidin-1-ylpyrrolidin-1-yl)-(4-pyrrol-1-ylphenyl)methanone
CID 110441029
(4-benzylphenyl)-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone
CID 25031425
(4-iodophenyl)-piperidin-1-ylmethanone
CID 5149204
[4-[4-(4-fluorophenoxy)phenoxy]phenyl]-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone
CID 24794465
(6-amino-3-pyridinyl)-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]methanone
CID 95026394
(3-fluoropyrrolidin-1-yl)-(4-iodophenyl)methanone
CID 170122418
(4-hydroxy-3-methylphenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 103951868
methyl 1-(4-iodobenzoyl)pyrrolidine-3-carboxylate
CID 47340248
(2-iodophenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 62947262
(4-amino-3-hydroxyphenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 107075245

Frequently Asked Questions

What is the IUPAC name of (4-iodophenyl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (4-iodophenyl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone (CID 63524427) is (4-iodophenyl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (4-iodophenyl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (4-iodophenyl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone is O=C(c1ccc(I)cc1)N1CCC(N2CCCCC2)C1.
What is the InChIKey of (4-iodophenyl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone?
The InChIKey is YVQLTKLHIKMNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21IN2O/c17-14-6-4-13(5-7-14)16(20)19-11-8-15(12-19)18-9-2-1-3-10-18/h4-7,15H,1-3,8-12H2.
What are the key properties of (4-iodophenyl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone?
(4-iodophenyl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone has a molecular weight of 384.26 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-iodophenyl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 63524427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).