4-chloro-N-[1-(2-iodobenzoyl)piperidin-4-yl]butanamide

C16H20ClIN2O2 — CID 108563967

IUPAC4-chloro-N-[1-(2-iodobenzoyl)piperidin-4-yl]butanamide
SMILESO=C(CCCCl)NC1CCN(C(=O)c2ccccc2I)CC1
InChIInChI=1S/C16H20ClIN2O2/c17-9-3-6-15(21)19-12-7-10-20(11-8-12)16(22)13-4-1-2-5-14(13)18/h1-2,4-5,12H,3,6-11H2,(H,19,21)
InChIKeyGVFJMNWHCFHMSR-UHFFFAOYSA-N
MW434.71 g/mol
LogP3.03
Rot. Bonds5

About 4-chloro-N-[1-(2-iodobenzoyl)piperidin-4-yl]butanamide

4-chloro-N-[1-(2-iodobenzoyl)piperidin-4-yl]butanamide (PubChem CID 108563967) has the molecular formula C16H20ClIN2O2 and a molecular weight of 434.71 g/mol. Its IUPAC name is 4-chloro-N-[1-(2-iodobenzoyl)piperidin-4-yl]butanamide.

Molecular Properties

Compound Name4-chloro-N-[1-(2-iodobenzoyl)piperidin-4-yl]butanamide
PubChem CID108563967
Molecular FormulaC16H20ClIN2O2
Molecular Weight434.71 g/mol
Exact Mass434.03
IUPAC Name4-chloro-N-[1-(2-iodobenzoyl)piperidin-4-yl]butanamide
SMILESO=C(CCCCl)NC1CCN(C(=O)c2ccccc2I)CC1
InChIInChI=1S/C16H20ClIN2O2/c17-9-3-6-15(21)19-12-7-10-20(11-8-12)16(22)13-4-1-2-5-14(13)18/h1-2,4-5,12H,3,6-11H2,(H,19,21)
InChIKeyGVFJMNWHCFHMSR-UHFFFAOYSA-N
XLogP3.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.71
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide
CID 108563637
N-[1-(2-iodobenzoyl)piperidin-4-yl]-2-(2-methoxyethoxy)acetamide
CID 108557706
4-chloro-N-[1-(4-methylbenzoyl)piperidin-4-yl]butanamide
CID 108563549
2,2,2-trifluoro-N-[1-(2-iodobenzoyl)piperidin-4-yl]acetamide
CID 108548674
4-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]butanamide
CID 119282477
N-[1-(2-methylbenzoyl)piperidin-4-yl]pentanamide
CID 110820234
7-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]heptanamide
CID 119710944
N-[1-(2-chlorobenzoyl)piperidin-4-yl]-4-(2-methylphenoxy)butanamide
CID 108553730
2-chloro-N-[1-(2-methylbenzoyl)piperidin-4-yl]acetamide
CID 108566977
N-[1-(2-chlorobenzoyl)piperidin-4-yl]-3-phenoxypropanamide
CID 108554888
2-[4-(3-phenylpropanoylamino)piperidine-1-carbonyl]benzoic acid
CID 113083308
N-(1-benzoylpiperidin-4-yl)-2-iodobenzamide
CID 108550283

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(2-iodobenzoyl)piperidin-4-yl]butanamide?
The IUPAC name of 4-chloro-N-[1-(2-iodobenzoyl)piperidin-4-yl]butanamide (CID 108563967) is 4-chloro-N-[1-(2-iodobenzoyl)piperidin-4-yl]butanamide.
What is the SMILES notation for 4-chloro-N-[1-(2-iodobenzoyl)piperidin-4-yl]butanamide?
The canonical SMILES for 4-chloro-N-[1-(2-iodobenzoyl)piperidin-4-yl]butanamide is O=C(CCCCl)NC1CCN(C(=O)c2ccccc2I)CC1.
What is the InChIKey of 4-chloro-N-[1-(2-iodobenzoyl)piperidin-4-yl]butanamide?
The InChIKey is GVFJMNWHCFHMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClIN2O2/c17-9-3-6-15(21)19-12-7-10-20(11-8-12)16(22)13-4-1-2-5-14(13)18/h1-2,4-5,12H,3,6-11H2,(H,19,21).
What are the key properties of 4-chloro-N-[1-(2-iodobenzoyl)piperidin-4-yl]butanamide?
4-chloro-N-[1-(2-iodobenzoyl)piperidin-4-yl]butanamide has a molecular weight of 434.71 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(2-iodobenzoyl)piperidin-4-yl]butanamide is sourced from PubChem (CID 108563967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).