2-[1-(2-methylpropyl)piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide

C18H25N3O2 — CID 122186793

IUPAC2-[1-(2-methylpropyl)piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide
SMILESCC(C)CN1CCC(N2Cc3cccc(C(N)=O)c3C2=O)CC1
InChIInChI=1S/C18H25N3O2/c1-12(2)10-20-8-6-14(7-9-20)21-11-13-4-3-5-15(17(19)22)16(13)18(21)23/h3-5,12,14H,6-11H2,1-2H3,(H2,19,22)
InChIKeyYEJCAPFHBURMPY-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.86
Rot. Bonds4

About 2-[1-(2-methylpropyl)piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide

2-[1-(2-methylpropyl)piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide (PubChem CID 122186793) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 2-[1-(2-methylpropyl)piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide.

Molecular Properties

Compound Name2-[1-(2-methylpropyl)piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide
PubChem CID122186793
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name2-[1-(2-methylpropyl)piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide
SMILESCC(C)CN1CCC(N2Cc3cccc(C(N)=O)c3C2=O)CC1
InChIInChI=1S/C18H25N3O2/c1-12(2)10-20-8-6-14(7-9-20)21-11-13-4-3-5-15(17(19)22)16(13)18(21)23/h3-5,12,14H,6-11H2,1-2H3,(H2,19,22)
InChIKeyYEJCAPFHBURMPY-UHFFFAOYSA-N
XLogP1.86
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Thalidomide
CID 5426
(S)-Thalidomide
CID 92142
3-(1,3-Dihydro-1-oxo-2H-isoindol-2-yl)-2,6-piperidinedione
CID 91585
Isopropylphthalimide
CID 67535
N-Butylphthalimide
CID 73812
Nvp-dky709
CID 137519326
N-Ethylphthalimide
CID 21120
1,2,3,4,6,10B-Hexahydro-10B-phenylpyrimido(2,1-A)isoindol-6-one
CID 455111
Itareparib
CID 73774960
U 93385
CID 132792
(R)-Thalidomide
CID 75792
N-(2-Methylallyl)-phthalimide
CID 231838

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylpropyl)piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide?
The IUPAC name of 2-[1-(2-methylpropyl)piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide (CID 122186793) is 2-[1-(2-methylpropyl)piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide.
What is the SMILES notation for 2-[1-(2-methylpropyl)piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide?
The canonical SMILES for 2-[1-(2-methylpropyl)piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide is CC(C)CN1CCC(N2Cc3cccc(C(N)=O)c3C2=O)CC1.
What is the InChIKey of 2-[1-(2-methylpropyl)piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide?
The InChIKey is YEJCAPFHBURMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-12(2)10-20-8-6-14(7-9-20)21-11-13-4-3-5-15(17(19)22)16(13)18(21)23/h3-5,12,14H,6-11H2,1-2H3,(H2,19,22).
What are the key properties of 2-[1-(2-methylpropyl)piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide?
2-[1-(2-methylpropyl)piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylpropyl)piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide is sourced from PubChem (CID 122186793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).