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

C18H25FN2OS — CID 119695822

IUPACN-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-piperidin-4-ylbutanamide
SMILESCC(CC(=O)NC1CCSc2ccc(F)cc21)C1CCNCC1
InChIInChI=1S/C18H25FN2OS/c1-12(13-4-7-20-8-5-13)10-18(22)21-16-6-9-23-17-3-2-14(19)11-15(16)17/h2-3,11-13,16,20H,4-10H2,1H3,(H,21,22)
InChIKeyKYNMLIQHGXEEDR-UHFFFAOYSA-N
MW336.48 g/mol
LogP3.50
Rot. Bonds4

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

N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-piperidin-4-ylbutanamide (PubChem CID 119695822) 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-4-ylbutanamide.

Molecular Properties

Compound NameN-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-piperidin-4-ylbutanamide
PubChem CID119695822
Molecular FormulaC18H25FN2OS
Molecular Weight336.48 g/mol
Exact Mass336.17
IUPAC NameN-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-piperidin-4-ylbutanamide
SMILESCC(CC(=O)NC1CCSc2ccc(F)cc21)C1CCNCC1
InChIInChI=1S/C18H25FN2OS/c1-12(13-4-7-20-8-5-13)10-18(22)21-16-6-9-23-17-3-2-14(19)11-15(16)17/h2-3,11-13,16,20H,4-10H2,1H3,(H,21,22)
InChIKeyKYNMLIQHGXEEDR-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
CID 119695812
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119695811
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-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)piperidine-4-carboxamide
CID 43703539
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-piperidin-3-ylacetamide
CID 62674703
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)acetamide
CID 47121346
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120619034
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-(4-fluorophenoxy)acetamide
CID 51247442
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-methoxypropanamide
CID 113225578
2-amino-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propanamide;hydrochloride
CID 119274634

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-piperidin-4-ylbutanamide?
The IUPAC name of N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-piperidin-4-ylbutanamide (CID 119695822) is N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-piperidin-4-ylbutanamide.
What is the SMILES notation for N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-piperidin-4-ylbutanamide?
The canonical SMILES for N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-piperidin-4-ylbutanamide is CC(CC(=O)NC1CCSc2ccc(F)cc21)C1CCNCC1.
What is the InChIKey of N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-piperidin-4-ylbutanamide?
The InChIKey is KYNMLIQHGXEEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2OS/c1-12(13-4-7-20-8-5-13)10-18(22)21-16-6-9-23-17-3-2-14(19)11-15(16)17/h2-3,11-13,16,20H,4-10H2,1H3,(H,21,22).
What are the key properties of N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-piperidin-4-ylbutanamide?
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-piperidin-4-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-4-ylbutanamide is sourced from PubChem (CID 119695822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).