N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-piperidin-3-ylbutanamide

C18H25FN2OS — CID 119695812

IUPACN-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)NC1CCSc2ccc(F)cc21)C1CCCNC1
InChIInChI=1S/C18H25FN2OS/c1-12(13-3-2-7-20-11-13)9-18(22)21-16-6-8-23-17-5-4-14(19)10-15(16)17/h4-5,10,12-13,16,20H,2-3,6-9,11H2,1H3,(H,21,22)
InChIKeyBBNVQFARSLLEOQ-UHFFFAOYSA-N
MW336.48 g/mol
LogP3.50
Rot. Bonds4

About N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-piperidin-3-ylbutanamide

N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-piperidin-3-ylbutanamide (PubChem CID 119695812) has the molecular formula C18H25FN2OS and a molecular weight of 336.48 g/mol. Its IUPAC name is N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-piperidin-3-ylbutanamide
PubChem CID119695812
Molecular FormulaC18H25FN2OS
Molecular Weight336.48 g/mol
Exact Mass336.17
IUPAC NameN-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)NC1CCSc2ccc(F)cc21)C1CCCNC1
InChIInChI=1S/C18H25FN2OS/c1-12(13-3-2-7-20-11-13)9-18(22)21-16-6-8-23-17-5-4-14(19)10-15(16)17/h4-5,10,12-13,16,20H,2-3,6-9,11H2,1H3,(H,21,22)
InChIKeyBBNVQFARSLLEOQ-UHFFFAOYSA-N
XLogP3.50
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119695811
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-piperidin-4-ylbutanamide
CID 119695822
N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119745334
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-piperidin-3-ylacetamide
CID 62674703
3-amino-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)butanamide
CID 60837944
3-amino-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)butanamide;hydrochloride
CID 119695826
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-propan-2-yloxyacetamide
CID 47411869
N-(2,3-dihydro-1H-inden-1-yl)-3-piperidin-3-ylbutanamide
CID 81047550
N-(2,4-difluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119673275
(3R)-N-[(1R,2R)-2-(4-fluorophenyl)cyclopentyl]-3-[(3S)-piperidin-3-yl]butanamide
CID 100652811
N-[4-fluoro-2-(4-fluorophenyl)phenyl]-3-piperidin-3-ylbutanamide
CID 119771660
N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-piperidin-3-ylbutanamide
CID 119761175

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-piperidin-3-ylbutanamide?
The IUPAC name of N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-piperidin-3-ylbutanamide (CID 119695812) is N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-piperidin-3-ylbutanamide is CC(CC(=O)NC1CCSc2ccc(F)cc21)C1CCCNC1.
What is the InChIKey of N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-piperidin-3-ylbutanamide?
The InChIKey is BBNVQFARSLLEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2OS/c1-12(13-3-2-7-20-11-13)9-18(22)21-16-6-8-23-17-5-4-14(19)10-15(16)17/h4-5,10,12-13,16,20H,2-3,6-9,11H2,1H3,(H,21,22).
What are the key properties of N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-piperidin-3-ylbutanamide?
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-piperidin-3-ylbutanamide has a molecular weight of 336.48 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 119695812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).