(3,5-dimethylpiperidin-1-yl)-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone

C22H28N2O2S — CID 24538398

IUPAC(3,5-dimethylpiperidin-1-yl)-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone
SMILESCC1CC(C)CN(C(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)C1
InChIInChI=1S/C22H28N2O2S/c1-16-12-17(2)15-24(14-16)21(25)20-13-19(18-6-4-3-5-7-18)22(27-20)23-8-10-26-11-9-23/h3-7,13,16-17H,8-12,14-15H2,1-2H3
InChIKeyWTCIZUIAKNXLAI-UHFFFAOYSA-N
MW384.55 g/mol
LogP4.37
Rot. Bonds3

About (3,5-dimethylpiperidin-1-yl)-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone

(3,5-dimethylpiperidin-1-yl)-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone (PubChem CID 24538398) has the molecular formula C22H28N2O2S and a molecular weight of 384.55 g/mol. Its IUPAC name is (3,5-dimethylpiperidin-1-yl)-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethylpiperidin-1-yl)-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone
PubChem CID24538398
Molecular FormulaC22H28N2O2S
Molecular Weight384.55 g/mol
Exact Mass384.19
IUPAC Name(3,5-dimethylpiperidin-1-yl)-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone
SMILESCC1CC(C)CN(C(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)C1
InChIInChI=1S/C22H28N2O2S/c1-16-12-17(2)15-24(14-16)21(25)20-13-19(18-6-4-3-5-7-18)22(27-20)23-8-10-26-11-9-23/h3-7,13,16-17H,8-12,14-15H2,1-2H3
InChIKeyWTCIZUIAKNXLAI-UHFFFAOYSA-N
XLogP4.37
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.55
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

azetidin-1-yl-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone
CID 24515046
(4-methoxypiperidin-1-yl)-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone
CID 55480219
(2,6-dimethylmorpholin-4-yl)-(5-morpholin-4-yl-4-pyridin-4-ylthiophen-2-yl)methanone
CID 110237366
[1-(5-morpholin-4-yl-4-phenylthiophene-2-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 55469027
(4-methylsulfonyl-1,4-diazepan-1-yl)-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone
CID 24667301
(4-benzylpiperazin-1-yl)-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone
CID 24513631
[4-(3-methylphenyl)piperazin-1-yl]-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone
CID 25398433
[(3S)-3-methylpiperidin-1-yl]-(5-morpholin-4-yl-4-pyridin-3-ylthiophen-2-yl)methanone
CID 95856405
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone
CID 27515240
N-(cyclopropylmethyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 43047282
(4-phenyl-5-piperidin-1-ylthiophen-2-yl)-pyrrolidin-1-ylmethanone
CID 20940464
N-butyl-N-methyl-1-(5-morpholin-4-yl-4-phenylthiophene-2-carbonyl)piperidine-4-carboxamide
CID 55836288

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpiperidin-1-yl)-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone?
The IUPAC name of (3,5-dimethylpiperidin-1-yl)-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone (CID 24538398) is (3,5-dimethylpiperidin-1-yl)-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone.
What is the SMILES notation for (3,5-dimethylpiperidin-1-yl)-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone?
The canonical SMILES for (3,5-dimethylpiperidin-1-yl)-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone is CC1CC(C)CN(C(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)C1.
What is the InChIKey of (3,5-dimethylpiperidin-1-yl)-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone?
The InChIKey is WTCIZUIAKNXLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2S/c1-16-12-17(2)15-24(14-16)21(25)20-13-19(18-6-4-3-5-7-18)22(27-20)23-8-10-26-11-9-23/h3-7,13,16-17H,8-12,14-15H2,1-2H3.
What are the key properties of (3,5-dimethylpiperidin-1-yl)-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone?
(3,5-dimethylpiperidin-1-yl)-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone has a molecular weight of 384.55 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpiperidin-1-yl)-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone is sourced from PubChem (CID 24538398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).