ethane;3-[3-[[4-[methyl(propan-2-yl)amino]piperidin-1-yl]methyl]anilino]piperidine-2,6-dione

C23H38N4O2 — CID 166468015

IUPACethane;3-[3-[[4-[methyl(propan-2-yl)amino]piperidin-1-yl]methyl]anilino]piperidine-2,6-dione
SMILESCC.CC(C)N(C)C1CCN(Cc2cccc(NC3CCC(=O)NC3=O)c2)CC1
InChIInChI=1S/C21H32N4O2.C2H6/c1-15(2)24(3)18-9-11-25(12-10-18)14-16-5-4-6-17(13-16)22-19-7-8-20(26)23-21(19)27;1-2/h4-6,13,15,18-19,22H,7-12,14H2,1-3H3,(H,23,26,27);1-2H3
InChIKeyUETFNJZPKHUSJC-UHFFFAOYSA-N
MW402.58 g/mol
LogP3.23
Rot. Bonds6

About ethane;3-[3-[[4-[methyl(propan-2-yl)amino]piperidin-1-yl]methyl]anilino]piperidine-2,6-dione

ethane;3-[3-[[4-[methyl(propan-2-yl)amino]piperidin-1-yl]methyl]anilino]piperidine-2,6-dione (PubChem CID 166468015) has the molecular formula C23H38N4O2 and a molecular weight of 402.58 g/mol. Its IUPAC name is ethane;3-[3-[[4-[methyl(propan-2-yl)amino]piperidin-1-yl]methyl]anilino]piperidine-2,6-dione.

Molecular Properties

Compound Nameethane;3-[3-[[4-[methyl(propan-2-yl)amino]piperidin-1-yl]methyl]anilino]piperidine-2,6-dione
PubChem CID166468015
Molecular FormulaC23H38N4O2
Molecular Weight402.58 g/mol
Exact Mass402.30
IUPAC Nameethane;3-[3-[[4-[methyl(propan-2-yl)amino]piperidin-1-yl]methyl]anilino]piperidine-2,6-dione
SMILESCC.CC(C)N(C)C1CCN(Cc2cccc(NC3CCC(=O)NC3=O)c2)CC1
InChIInChI=1S/C21H32N4O2.C2H6/c1-15(2)24(3)18-9-11-25(12-10-18)14-16-5-4-6-17(13-16)22-19-7-8-20(26)23-21(19)27;1-2/h4-6,13,15,18-19,22H,7-12,14H2,1-3H3,(H,23,26,27);1-2H3
InChIKeyUETFNJZPKHUSJC-UHFFFAOYSA-N
XLogP3.23
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.58
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

ethane;3-(3-ethylanilino)piperidine-2,6-dione
CID 170586483
3-[3-methyl-5-[[4-[methyl(propan-2-yl)amino]piperidin-1-yl]methyl]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 166472201
3-[3-[[4-(2-bromo-5-methoxy-4-nitrophenyl)piperazin-1-yl]methyl]anilino]piperidine-2,6-dione
CID 166095534
3-[3-[1-(6-aminohexyl)piperidin-4-yl]anilino]piperidine-2,6-dione
CID 170749885
N-(2-cyclohexyl-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl)-6-(trifluoromethyl)pyridine-2-carboxamide;3-[3-[[4-(dimethylamino)piperidin-1-yl]methyl]anilino]piperidine-2,6-dione
CID 166468097
N-[2-[4-[[[1-[[3-[(2,6-dioxopiperidin-3-yl)amino]phenyl]methyl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 167304623
3-(3-aminoanilino)piperidine-2,6-dione;dichloromethane
CID 169082326
3-(3-hydroxyanilino)piperidine-2,6-dione
CID 170904961
3-(3-acetylanilino)piperidine-2,6-dione;ethane
CID 170751142
ethane;3-(3-fluoro-4-propan-2-ylanilino)piperidine-2,6-dione
CID 170749603
2-(4-tert-butylpiperidin-1-yl)-N-[3-[(2,6-dioxopiperidin-3-yl)amino]phenyl]acetamide
CID 162504384
3-[3-[4-(4-aminophenyl)piperazin-1-yl]anilino]piperidine-2,6-dione
CID 171098642

Frequently Asked Questions

What is the IUPAC name of ethane;3-[3-[[4-[methyl(propan-2-yl)amino]piperidin-1-yl]methyl]anilino]piperidine-2,6-dione?
The IUPAC name of ethane;3-[3-[[4-[methyl(propan-2-yl)amino]piperidin-1-yl]methyl]anilino]piperidine-2,6-dione (CID 166468015) is ethane;3-[3-[[4-[methyl(propan-2-yl)amino]piperidin-1-yl]methyl]anilino]piperidine-2,6-dione.
What is the SMILES notation for ethane;3-[3-[[4-[methyl(propan-2-yl)amino]piperidin-1-yl]methyl]anilino]piperidine-2,6-dione?
The canonical SMILES for ethane;3-[3-[[4-[methyl(propan-2-yl)amino]piperidin-1-yl]methyl]anilino]piperidine-2,6-dione is CC.CC(C)N(C)C1CCN(Cc2cccc(NC3CCC(=O)NC3=O)c2)CC1.
What is the InChIKey of ethane;3-[3-[[4-[methyl(propan-2-yl)amino]piperidin-1-yl]methyl]anilino]piperidine-2,6-dione?
The InChIKey is UETFNJZPKHUSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O2.C2H6/c1-15(2)24(3)18-9-11-25(12-10-18)14-16-5-4-6-17(13-16)22-19-7-8-20(26)23-21(19)27;1-2/h4-6,13,15,18-19,22H,7-12,14H2,1-3H3,(H,23,26,27);1-2H3.
What are the key properties of ethane;3-[3-[[4-[methyl(propan-2-yl)amino]piperidin-1-yl]methyl]anilino]piperidine-2,6-dione?
ethane;3-[3-[[4-[methyl(propan-2-yl)amino]piperidin-1-yl]methyl]anilino]piperidine-2,6-dione has a molecular weight of 402.58 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[3-[[4-[methyl(propan-2-yl)amino]piperidin-1-yl]methyl]anilino]piperidine-2,6-dione is sourced from PubChem (CID 166468015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).