azepan-1-yl-(5-piperidin-4-ylthiophen-3-yl)methanone

C16H24N2OS — CID 42644591

IUPACazepan-1-yl-(5-piperidin-4-ylthiophen-3-yl)methanone
SMILESO=C(c1csc(C2CCNCC2)c1)N1CCCCCC1
InChIInChI=1S/C16H24N2OS/c19-16(18-9-3-1-2-4-10-18)14-11-15(20-12-14)13-5-7-17-8-6-13/h11-13,17H,1-10H2
InChIKeyKWZORGQPUNHBBN-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.23
Rot. Bonds2

About azepan-1-yl-(5-piperidin-4-ylthiophen-3-yl)methanone

azepan-1-yl-(5-piperidin-4-ylthiophen-3-yl)methanone (PubChem CID 42644591) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is azepan-1-yl-(5-piperidin-4-ylthiophen-3-yl)methanone.

Molecular Properties

Compound Nameazepan-1-yl-(5-piperidin-4-ylthiophen-3-yl)methanone
PubChem CID42644591
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Nameazepan-1-yl-(5-piperidin-4-ylthiophen-3-yl)methanone
SMILESO=C(c1csc(C2CCNCC2)c1)N1CCCCCC1
InChIInChI=1S/C16H24N2OS/c19-16(18-9-3-1-2-4-10-18)14-11-15(20-12-14)13-5-7-17-8-6-13/h11-13,17H,1-10H2
InChIKeyKWZORGQPUNHBBN-UHFFFAOYSA-N
XLogP3.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-difluoro-5-piperidin-4-ylphenyl)-piperidin-1-ylmethanone
CID 172648907
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(5-pyrrolidin-3-ylthiophen-3-yl)methanone
CID 59542536
(5-piperidin-4-ylthiophen-3-yl)-[(1S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone
CID 143816979
(3,3-dimethylpiperidin-1-yl)-[5-(oxan-4-yl)thiophen-3-yl]methanone
CID 42644356
[5-(4-methylpiperidin-1-yl)sulfonylthiophen-3-yl]-piperidin-1-ylmethanone
CID 50777781
(2-fluoro-5-piperidin-4-ylphenyl)-piperidin-1-ylmethanone;hydrochloride
CID 171361960
4-(piperidine-1-carbonyl)thiophene-2-sulfonamide
CID 51270491
(5-bromothiophen-3-yl)-piperazin-1-ylmethanone;hydrochloride
CID 119403242
4-(azocane-1-carbonyl)thiophene-2-sulfonyl chloride
CID 65372779
azocan-1-yl-(2-piperidin-3-yl-1,3-thiazol-4-yl)methanone
CID 3678062
[3,5-bis(pyrrolidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 171722697
[5-(azepan-1-ylsulfonyl)thiophen-3-yl]-piperidin-1-ylmethanone
CID 50777756

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-(5-piperidin-4-ylthiophen-3-yl)methanone?
The IUPAC name of azepan-1-yl-(5-piperidin-4-ylthiophen-3-yl)methanone (CID 42644591) is azepan-1-yl-(5-piperidin-4-ylthiophen-3-yl)methanone.
What is the SMILES notation for azepan-1-yl-(5-piperidin-4-ylthiophen-3-yl)methanone?
The canonical SMILES for azepan-1-yl-(5-piperidin-4-ylthiophen-3-yl)methanone is O=C(c1csc(C2CCNCC2)c1)N1CCCCCC1.
What is the InChIKey of azepan-1-yl-(5-piperidin-4-ylthiophen-3-yl)methanone?
The InChIKey is KWZORGQPUNHBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c19-16(18-9-3-1-2-4-10-18)14-11-15(20-12-14)13-5-7-17-8-6-13/h11-13,17H,1-10H2.
What are the key properties of azepan-1-yl-(5-piperidin-4-ylthiophen-3-yl)methanone?
azepan-1-yl-(5-piperidin-4-ylthiophen-3-yl)methanone has a molecular weight of 292.45 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-(5-piperidin-4-ylthiophen-3-yl)methanone is sourced from PubChem (CID 42644591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).