(3-methylthiophen-2-yl)-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone

C17H26N2O2S — CID 53193426

IUPAC(3-methylthiophen-2-yl)-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
SMILESCc1ccsc1C(=O)N1CCCCC1CCN1CCOCC1
InChIInChI=1S/C17H26N2O2S/c1-14-6-13-22-16(14)17(20)19-7-3-2-4-15(19)5-8-18-9-11-21-12-10-18/h6,13,15H,2-5,7-12H2,1H3
InChIKeyHBUQZIPVPVJKLB-UHFFFAOYSA-N
MW322.47 g/mol
LogP2.77
Rot. Bonds4

About (3-methylthiophen-2-yl)-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone

(3-methylthiophen-2-yl)-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone (PubChem CID 53193426) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is (3-methylthiophen-2-yl)-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-methylthiophen-2-yl)-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
PubChem CID53193426
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC Name(3-methylthiophen-2-yl)-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
SMILESCc1ccsc1C(=O)N1CCCCC1CCN1CCOCC1
InChIInChI=1S/C17H26N2O2S/c1-14-6-13-22-16(14)17(20)19-7-3-2-4-15(19)5-8-18-9-11-21-12-10-18/h6,13,15H,2-5,7-12H2,1H3
InChIKeyHBUQZIPVPVJKLB-UHFFFAOYSA-N
XLogP2.77
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(3-methylthiophene-2-carbonyl)piperidin-2-yl]acetic acid
CID 54899521
[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 95111790
(3-methylphenyl)-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 95111754
(2-methyl-1,3-thiazol-5-yl)-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 97109668
[2-(2-morpholin-4-ylethyl)piperidin-1-yl]-phenylmethanone;hydrochloride
CID 20994934
(5-methyl-1H-pyrazol-3-yl)-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 70778532
1,3-benzodioxol-5-yl-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 95111788
[(2R)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 95378375
[(2S)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 95378374
(2-methyl-5-propan-2-ylfuran-3-yl)-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 97133758
(2-methyl-5-propan-2-ylfuran-3-yl)-[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 97133757
(2-methylphenyl)-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
CID 29339285

Frequently Asked Questions

What is the IUPAC name of (3-methylthiophen-2-yl)-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone?
The IUPAC name of (3-methylthiophen-2-yl)-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone (CID 53193426) is (3-methylthiophen-2-yl)-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-methylthiophen-2-yl)-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone?
The canonical SMILES for (3-methylthiophen-2-yl)-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone is Cc1ccsc1C(=O)N1CCCCC1CCN1CCOCC1.
What is the InChIKey of (3-methylthiophen-2-yl)-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone?
The InChIKey is HBUQZIPVPVJKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2S/c1-14-6-13-22-16(14)17(20)19-7-3-2-4-15(19)5-8-18-9-11-21-12-10-18/h6,13,15H,2-5,7-12H2,1H3.
What are the key properties of (3-methylthiophen-2-yl)-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone?
(3-methylthiophen-2-yl)-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone has a molecular weight of 322.47 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylthiophen-2-yl)-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 53193426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).