3-[(3S)-1-(4-fluoro-2-iodobenzoyl)piperidin-3-yl]propanamide

C15H18FIN2O2 — CID 95700358

IUPAC3-[(3S)-1-(4-fluoro-2-iodobenzoyl)piperidin-3-yl]propanamide
SMILESNC(=O)CC[C@@H]1CCCN(C(=O)c2ccc(F)cc2I)C1
InChIInChI=1S/C15H18FIN2O2/c16-11-4-5-12(13(17)8-11)15(21)19-7-1-2-10(9-19)3-6-14(18)20/h4-5,8,10H,1-3,6-7,9H2,(H2,18,20)/t10-/m0/s1
InChIKeyDEJDBLSBYVKOGO-JTQLQIEISA-N
MW404.22 g/mol
LogP2.55
Rot. Bonds4

About 3-[(3S)-1-(4-fluoro-2-iodobenzoyl)piperidin-3-yl]propanamide

3-[(3S)-1-(4-fluoro-2-iodobenzoyl)piperidin-3-yl]propanamide (PubChem CID 95700358) has the molecular formula C15H18FIN2O2 and a molecular weight of 404.22 g/mol. Its IUPAC name is 3-[(3S)-1-(4-fluoro-2-iodobenzoyl)piperidin-3-yl]propanamide.

Molecular Properties

Compound Name3-[(3S)-1-(4-fluoro-2-iodobenzoyl)piperidin-3-yl]propanamide
PubChem CID95700358
Molecular FormulaC15H18FIN2O2
Molecular Weight404.22 g/mol
Exact Mass404.04
IUPAC Name3-[(3S)-1-(4-fluoro-2-iodobenzoyl)piperidin-3-yl]propanamide
SMILESNC(=O)CC[C@@H]1CCCN(C(=O)c2ccc(F)cc2I)C1
InChIInChI=1S/C15H18FIN2O2/c16-11-4-5-12(13(17)8-11)15(21)19-7-1-2-10(9-19)3-6-14(18)20/h4-5,8,10H,1-3,6-7,9H2,(H2,18,20)/t10-/m0/s1
InChIKeyDEJDBLSBYVKOGO-JTQLQIEISA-N
XLogP2.55
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.22
LogP ≤ 52.55
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

1-(4-fluoro-2-iodobenzoyl)piperidine-3-carboxamide
CID 103617048
3-[(3S)-1-(5-chloro-2-iodobenzoyl)piperidin-3-yl]propanamide
CID 52877022
(3-aminopyrrolidin-1-yl)-(4-fluoro-2-iodophenyl)methanone
CID 103806148
3-[1-(2-aminobenzoyl)piperidin-3-yl]propanamide;hydrochloride
CID 119945100
(4-fluoro-2-methylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 112706029
(4-fluoro-2-iodophenyl)-piperidin-1-ylmethanone
CID 103615017
[3-(aminomethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone;hydrochloride
CID 119465009
[3-(2-aminoethyl)piperidin-1-yl]-(5-fluoro-2-methylphenyl)methanone
CID 63765748
[3-(2-bromoethyl)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299572
[3-(aminomethyl)piperidin-1-yl]-(2-chloro-4-fluorophenyl)methanone;hydrochloride
CID 119465102
(4-fluoro-2-iodophenyl)-(3-methylazetidin-1-yl)methanone
CID 172646487
3-[(3R)-1-(2-fluoro-4-methylbenzoyl)piperidin-3-yl]propanoic acid
CID 97161540

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1-(4-fluoro-2-iodobenzoyl)piperidin-3-yl]propanamide?
The IUPAC name of 3-[(3S)-1-(4-fluoro-2-iodobenzoyl)piperidin-3-yl]propanamide (CID 95700358) is 3-[(3S)-1-(4-fluoro-2-iodobenzoyl)piperidin-3-yl]propanamide.
What is the SMILES notation for 3-[(3S)-1-(4-fluoro-2-iodobenzoyl)piperidin-3-yl]propanamide?
The canonical SMILES for 3-[(3S)-1-(4-fluoro-2-iodobenzoyl)piperidin-3-yl]propanamide is NC(=O)CC[C@@H]1CCCN(C(=O)c2ccc(F)cc2I)C1.
What is the InChIKey of 3-[(3S)-1-(4-fluoro-2-iodobenzoyl)piperidin-3-yl]propanamide?
The InChIKey is DEJDBLSBYVKOGO-JTQLQIEISA-N. The full InChI is InChI=1S/C15H18FIN2O2/c16-11-4-5-12(13(17)8-11)15(21)19-7-1-2-10(9-19)3-6-14(18)20/h4-5,8,10H,1-3,6-7,9H2,(H2,18,20)/t10-/m0/s1.
What are the key properties of 3-[(3S)-1-(4-fluoro-2-iodobenzoyl)piperidin-3-yl]propanamide?
3-[(3S)-1-(4-fluoro-2-iodobenzoyl)piperidin-3-yl]propanamide has a molecular weight of 404.22 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-1-(4-fluoro-2-iodobenzoyl)piperidin-3-yl]propanamide is sourced from PubChem (CID 95700358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).