N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-4-methoxypiperidine-4-carboxamide

C16H21FN2O2S — CID 119695824

IUPACN-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-4-methoxypiperidine-4-carboxamide
SMILESCOC1(C(=O)NC2CCSc3ccc(F)cc32)CCNCC1
InChIInChI=1S/C16H21FN2O2S/c1-21-16(5-7-18-8-6-16)15(20)19-13-4-9-22-14-3-2-11(17)10-12(13)14/h2-3,10,13,18H,4-9H2,1H3,(H,19,20)
InChIKeyRTYYHRLJKALSFW-UHFFFAOYSA-N
MW324.42 g/mol
LogP2.25
Rot. Bonds3

About N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-4-methoxypiperidine-4-carboxamide

N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-4-methoxypiperidine-4-carboxamide (PubChem CID 119695824) has the molecular formula C16H21FN2O2S and a molecular weight of 324.42 g/mol. Its IUPAC name is N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-4-methoxypiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-4-methoxypiperidine-4-carboxamide
PubChem CID119695824
Molecular FormulaC16H21FN2O2S
Molecular Weight324.42 g/mol
Exact Mass324.13
IUPAC NameN-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-4-methoxypiperidine-4-carboxamide
SMILESCOC1(C(=O)NC2CCSc3ccc(F)cc32)CCNCC1
InChIInChI=1S/C16H21FN2O2S/c1-21-16(5-7-18-8-6-16)15(20)19-13-4-9-22-14-3-2-11(17)10-12(13)14/h2-3,10,13,18H,4-9H2,1H3,(H,19,20)
InChIKeyRTYYHRLJKALSFW-UHFFFAOYSA-N
XLogP2.25
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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)piperidine-4-carboxamide
CID 43703539
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)acetamide
CID 47121346
1-amino-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)cyclobutane-1-carboxamide
CID 81179375
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-methoxypropanamide
CID 113225578
4-methoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
CID 119674476
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-piperidin-4-ylbutanamide
CID 119695822
tert-butyl N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)carbamate
CID 63790273
4-ethyl-N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]benzamide
CID 26468741
methyl 2-[(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]butanoate
CID 115352554
N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3,5-dimethylbenzamide
CID 26468733
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-(4-fluorophenoxy)acetamide
CID 51247442

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-4-methoxypiperidine-4-carboxamide?
The IUPAC name of N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-4-methoxypiperidine-4-carboxamide (CID 119695824) is N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-4-methoxypiperidine-4-carboxamide.
What is the SMILES notation for N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-4-methoxypiperidine-4-carboxamide?
The canonical SMILES for N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-4-methoxypiperidine-4-carboxamide is COC1(C(=O)NC2CCSc3ccc(F)cc32)CCNCC1.
What is the InChIKey of N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-4-methoxypiperidine-4-carboxamide?
The InChIKey is RTYYHRLJKALSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2S/c1-21-16(5-7-18-8-6-16)15(20)19-13-4-9-22-14-3-2-11(17)10-12(13)14/h2-3,10,13,18H,4-9H2,1H3,(H,19,20).
What are the key properties of N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-4-methoxypiperidine-4-carboxamide?
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-4-methoxypiperidine-4-carboxamide has a molecular weight of 324.42 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-4-methoxypiperidine-4-carboxamide is sourced from PubChem (CID 119695824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).