N-(4-iodo-2,5-dimethylphenyl)-3-piperidin-1-ylpropanamide

C16H23IN2O — CID 123476524

IUPACN-(4-iodo-2,5-dimethylphenyl)-3-piperidin-1-ylpropanamide
SMILESCc1cc(NC(=O)CCN2CCCCC2)c(C)cc1I
InChIInChI=1S/C16H23IN2O/c1-12-11-15(13(2)10-14(12)17)18-16(20)6-9-19-7-4-3-5-8-19/h10-11H,3-9H2,1-2H3,(H,18,20)
InChIKeyUWERASGMYRJQAX-UHFFFAOYSA-N
MW386.28 g/mol
LogP3.72
Rot. Bonds4

About N-(4-iodo-2,5-dimethylphenyl)-3-piperidin-1-ylpropanamide

N-(4-iodo-2,5-dimethylphenyl)-3-piperidin-1-ylpropanamide (PubChem CID 123476524) has the molecular formula C16H23IN2O and a molecular weight of 386.28 g/mol. Its IUPAC name is N-(4-iodo-2,5-dimethylphenyl)-3-piperidin-1-ylpropanamide.

Molecular Properties

Compound NameN-(4-iodo-2,5-dimethylphenyl)-3-piperidin-1-ylpropanamide
PubChem CID123476524
Molecular FormulaC16H23IN2O
Molecular Weight386.28 g/mol
Exact Mass386.09
IUPAC NameN-(4-iodo-2,5-dimethylphenyl)-3-piperidin-1-ylpropanamide
SMILESCc1cc(NC(=O)CCN2CCCCC2)c(C)cc1I
InChIInChI=1S/C16H23IN2O/c1-12-11-15(13(2)10-14(12)17)18-16(20)6-9-19-7-4-3-5-8-19/h10-11H,3-9H2,1-2H3,(H,18,20)
InChIKeyUWERASGMYRJQAX-UHFFFAOYSA-N
XLogP3.72
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.28
LogP ≤ 53.72
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

3-piperidin-1-yl-N-(2,4,6-trimethylphenyl)propanamide
CID 683819
N-(2-methylphenyl)-3-pyrrolidin-1-ylpropanamide;hydrochloride
CID 2902883
N-(4-iodo-2,5-dimethylphenyl)propanamide
CID 839810
N-(3,5-dimethylphenyl)-3-piperidin-1-ylpropanamide
CID 771509
N-(3,4-dimethylphenyl)-3-piperidin-1-ylpropanamide
CID 771569
ethane;N-(3-methylphenyl)-3-piperidin-1-ylpropanamide
CID 143383579
N-(3-bromo-4-methylphenyl)-3-piperidin-1-ylpropanamide
CID 778184
N-(3,4-dimethylphenyl)-3-piperidin-1-ylpropanamide;oxalic acid
CID 171154670
3-(azepan-1-yl)-N-(3-chloro-2-methylphenyl)propanamide;oxalic acid
CID 171154314
N-(3,5-dichlorophenyl)-3-piperidin-1-ylpropanamide
CID 23906957
N-(5-amino-2-methylphenyl)-3-(1,4-thiazepan-4-yl)propanamide
CID 61418422
4-(azepan-1-yl)-N-(2,4,6-trimethylphenyl)butanamide
CID 3078502

Frequently Asked Questions

What is the IUPAC name of N-(4-iodo-2,5-dimethylphenyl)-3-piperidin-1-ylpropanamide?
The IUPAC name of N-(4-iodo-2,5-dimethylphenyl)-3-piperidin-1-ylpropanamide (CID 123476524) is N-(4-iodo-2,5-dimethylphenyl)-3-piperidin-1-ylpropanamide.
What is the SMILES notation for N-(4-iodo-2,5-dimethylphenyl)-3-piperidin-1-ylpropanamide?
The canonical SMILES for N-(4-iodo-2,5-dimethylphenyl)-3-piperidin-1-ylpropanamide is Cc1cc(NC(=O)CCN2CCCCC2)c(C)cc1I.
What is the InChIKey of N-(4-iodo-2,5-dimethylphenyl)-3-piperidin-1-ylpropanamide?
The InChIKey is UWERASGMYRJQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23IN2O/c1-12-11-15(13(2)10-14(12)17)18-16(20)6-9-19-7-4-3-5-8-19/h10-11H,3-9H2,1-2H3,(H,18,20).
What are the key properties of N-(4-iodo-2,5-dimethylphenyl)-3-piperidin-1-ylpropanamide?
N-(4-iodo-2,5-dimethylphenyl)-3-piperidin-1-ylpropanamide has a molecular weight of 386.28 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodo-2,5-dimethylphenyl)-3-piperidin-1-ylpropanamide is sourced from PubChem (CID 123476524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).