(4-methylpiperidin-1-yl)-(3-phenylthiophen-2-yl)methanone

C17H19NOS — CID 78768210

IUPAC(4-methylpiperidin-1-yl)-(3-phenylthiophen-2-yl)methanone
SMILESCC1CCN(C(=O)c2sccc2-c2ccccc2)CC1
InChIInChI=1S/C17H19NOS/c1-13-7-10-18(11-8-13)17(19)16-15(9-12-20-16)14-5-3-2-4-6-14/h2-6,9,12-13H,7-8,10-11H2,1H3
InChIKeyANTNAOPNRLGJQU-UHFFFAOYSA-N
MW285.41 g/mol
LogP4.29
Rot. Bonds2

About (4-methylpiperidin-1-yl)-(3-phenylthiophen-2-yl)methanone

(4-methylpiperidin-1-yl)-(3-phenylthiophen-2-yl)methanone (PubChem CID 78768210) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-(3-phenylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-(3-phenylthiophen-2-yl)methanone
PubChem CID78768210
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC Name(4-methylpiperidin-1-yl)-(3-phenylthiophen-2-yl)methanone
SMILESCC1CCN(C(=O)c2sccc2-c2ccccc2)CC1
InChIInChI=1S/C17H19NOS/c1-13-7-10-18(11-8-13)17(19)16-15(9-12-20-16)14-5-3-2-4-6-14/h2-6,9,12-13H,7-8,10-11H2,1H3
InChIKeyANTNAOPNRLGJQU-UHFFFAOYSA-N
XLogP4.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-hydroxypyrrolidin-1-yl)-(3-phenylthiophen-2-yl)methanone
CID 62916923
morpholin-4-yl-(3-phenylthiophen-2-yl)methanone
CID 18105345
N-butyl-1-(3-phenylthiophene-2-carbonyl)piperidine-4-carboxamide
CID 86985184
(3-aminothiophen-2-yl)-(4-methylpiperidin-1-yl)methanone
CID 61091260
(4-benzhydrylpiperazin-1-yl)-(3-phenylthiophen-2-yl)methanone
CID 2444171
[1-[3-(4-methylphenyl)thiophene-2-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 51255293
2-ethyl-7-(3-phenylthiophene-2-carbonyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
CID 139010342
(3-bromothiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 62613244
(3-phenylthiophen-2-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 134045017
3-(4-methylpiperidine-1-carbonyl)-4-phenyl-1H-pyridin-2-one
CID 110647525
ethane;(4-methylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 142506623
(3-phenylthiophen-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 24513867

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-(3-phenylthiophen-2-yl)methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-(3-phenylthiophen-2-yl)methanone (CID 78768210) is (4-methylpiperidin-1-yl)-(3-phenylthiophen-2-yl)methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-(3-phenylthiophen-2-yl)methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-(3-phenylthiophen-2-yl)methanone is CC1CCN(C(=O)c2sccc2-c2ccccc2)CC1.
What is the InChIKey of (4-methylpiperidin-1-yl)-(3-phenylthiophen-2-yl)methanone?
The InChIKey is ANTNAOPNRLGJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOS/c1-13-7-10-18(11-8-13)17(19)16-15(9-12-20-16)14-5-3-2-4-6-14/h2-6,9,12-13H,7-8,10-11H2,1H3.
What are the key properties of (4-methylpiperidin-1-yl)-(3-phenylthiophen-2-yl)methanone?
(4-methylpiperidin-1-yl)-(3-phenylthiophen-2-yl)methanone has a molecular weight of 285.41 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-(3-phenylthiophen-2-yl)methanone is sourced from PubChem (CID 78768210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).