[4-(3-methylphenyl)piperazin-1-yl]-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone

C26H29N3O2S — CID 25398433

IUPAC[4-(3-methylphenyl)piperazin-1-yl]-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone
SMILESCc1cccc(N2CCN(C(=O)c3cc(-c4ccccc4)c(N4CCOCC4)s3)CC2)c1
InChIInChI=1S/C26H29N3O2S/c1-20-6-5-9-22(18-20)27-10-12-28(13-11-27)25(30)24-19-23(21-7-3-2-4-8-21)26(32-24)29-14-16-31-17-15-29/h2-9,18-19H,10-17H2,1H3
InChIKeyQYKGKHKWXFAVNP-UHFFFAOYSA-N
MW447.60 g/mol
LogP4.52
Rot. Bonds4

About [4-(3-methylphenyl)piperazin-1-yl]-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone

[4-(3-methylphenyl)piperazin-1-yl]-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone (PubChem CID 25398433) has the molecular formula C26H29N3O2S and a molecular weight of 447.60 g/mol. Its IUPAC name is [4-(3-methylphenyl)piperazin-1-yl]-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[4-(3-methylphenyl)piperazin-1-yl]-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone
PubChem CID25398433
Molecular FormulaC26H29N3O2S
Molecular Weight447.60 g/mol
Exact Mass447.20
IUPAC Name[4-(3-methylphenyl)piperazin-1-yl]-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone
SMILESCc1cccc(N2CCN(C(=O)c3cc(-c4ccccc4)c(N4CCOCC4)s3)CC2)c1
InChIInChI=1S/C26H29N3O2S/c1-20-6-5-9-22(18-20)27-10-12-28(13-11-27)25(30)24-19-23(21-7-3-2-4-8-21)26(32-24)29-14-16-31-17-15-29/h2-9,18-19H,10-17H2,1H3
InChIKeyQYKGKHKWXFAVNP-UHFFFAOYSA-N
XLogP4.52
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.60
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

azetidin-1-yl-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone
CID 24515046
(4-benzylpiperazin-1-yl)-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone
CID 24513631
(3,5-dimethylpiperidin-1-yl)-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone
CID 24538398
(4-methoxypiperidin-1-yl)-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone
CID 55480219
(4-methylsulfonyl-1,4-diazepan-1-yl)-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone
CID 24667301
[1-(5-morpholin-4-yl-4-phenylthiophene-2-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 55469027
N-(2,5-dimethylphenyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 9138242
[4-(3-methylphenyl)piperazin-1-yl]-[3-(morpholine-4-carbonyl)phenyl]methanone
CID 109052867
N-butyl-N-methyl-1-(5-morpholin-4-yl-4-phenylthiophene-2-carbonyl)piperidine-4-carboxamide
CID 55836288
[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone
CID 46637403
[4-(3-methylphenyl)piperazin-1-yl]-(4H-thieno[3,2-c]chromen-2-yl)methanone
CID 25398083
[4-(3-methylphenyl)piperazin-1-yl]-[5-(morpholine-4-carbonyl)-3-pyridinyl]methanone
CID 109103768

Frequently Asked Questions

What is the IUPAC name of [4-(3-methylphenyl)piperazin-1-yl]-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone?
The IUPAC name of [4-(3-methylphenyl)piperazin-1-yl]-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone (CID 25398433) is [4-(3-methylphenyl)piperazin-1-yl]-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone.
What is the SMILES notation for [4-(3-methylphenyl)piperazin-1-yl]-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone?
The canonical SMILES for [4-(3-methylphenyl)piperazin-1-yl]-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone is Cc1cccc(N2CCN(C(=O)c3cc(-c4ccccc4)c(N4CCOCC4)s3)CC2)c1.
What is the InChIKey of [4-(3-methylphenyl)piperazin-1-yl]-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone?
The InChIKey is QYKGKHKWXFAVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O2S/c1-20-6-5-9-22(18-20)27-10-12-28(13-11-27)25(30)24-19-23(21-7-3-2-4-8-21)26(32-24)29-14-16-31-17-15-29/h2-9,18-19H,10-17H2,1H3.
What are the key properties of [4-(3-methylphenyl)piperazin-1-yl]-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone?
[4-(3-methylphenyl)piperazin-1-yl]-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone has a molecular weight of 447.60 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methylphenyl)piperazin-1-yl]-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone is sourced from PubChem (CID 25398433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).