[(3S)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone

C24H29N5OS — CID 92877110

IUPAC[(3S)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCCc1cc2c(N3CCC[C@H](C(=O)N4CCN(c5ccccc5)CC4)C3)ncnc2s1
InChIInChI=1S/C24H29N5OS/c1-2-20-15-21-22(25-17-26-23(21)31-20)29-10-6-7-18(16-29)24(30)28-13-11-27(12-14-28)19-8-4-3-5-9-19/h3-5,8-9,15,17-18H,2,6-7,10-14,16H2,1H3/t18-/m0/s1
InChIKeyMQLXZYGFWBMAPH-SFHVURJKSA-N
MW435.60 g/mol
LogP3.82
Rot. Bonds4

About [(3S)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone

[(3S)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 92877110) has the molecular formula C24H29N5OS and a molecular weight of 435.60 g/mol. Its IUPAC name is [(3S)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[(3S)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID92877110
Molecular FormulaC24H29N5OS
Molecular Weight435.60 g/mol
Exact Mass435.21
IUPAC Name[(3S)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCCc1cc2c(N3CCC[C@H](C(=O)N4CCN(c5ccccc5)CC4)C3)ncnc2s1
InChIInChI=1S/C24H29N5OS/c1-2-20-15-21-22(25-17-26-23(21)31-20)29-10-6-7-18(16-29)24(30)28-13-11-27(12-14-28)19-8-4-3-5-9-19/h3-5,8-9,15,17-18H,2,6-7,10-14,16H2,1H3/t18-/m0/s1
InChIKeyMQLXZYGFWBMAPH-SFHVURJKSA-N
XLogP3.82
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.60
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(3S)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(2,4-dimethylphenyl)piperazin-1-yl]-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanone
CID 46362908
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[(3R)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanone
CID 92877179
(3R)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide
CID 92877263
(3R)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 92877305
1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-propan-2-ylpiperidine-3-carboxamide
CID 46362845
(3R)-N-(3-ethylphenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92877193
morpholin-4-yl-[1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanone
CID 55500958
N-(4-ethylphenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 46362863
(3R)-N-[(3-chlorophenyl)methyl]-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92877223
(3R)-N-(4-chlorophenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92877233
1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 60507618
(3R)-N-(3-cyanophenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92877191

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [(3S)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone (CID 92877110) is [(3S)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [(3S)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [(3S)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone is CCc1cc2c(N3CCC[C@H](C(=O)N4CCN(c5ccccc5)CC4)C3)ncnc2s1.
What is the InChIKey of [(3S)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is MQLXZYGFWBMAPH-SFHVURJKSA-N. The full InChI is InChI=1S/C24H29N5OS/c1-2-20-15-21-22(25-17-26-23(21)31-20)29-10-6-7-18(16-29)24(30)28-13-11-27(12-14-28)19-8-4-3-5-9-19/h3-5,8-9,15,17-18H,2,6-7,10-14,16H2,1H3/t18-/m0/s1.
What are the key properties of [(3S)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone?
[(3S)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 435.60 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 92877110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).