N-[(4-hydroxypiperidin-4-yl)methyl]-3,3-dimethyl-2-oxoindole-1-carboxamide

C17H23N3O3 — CID 67233261

IUPACN-[(4-hydroxypiperidin-4-yl)methyl]-3,3-dimethyl-2-oxoindole-1-carboxamide
SMILESCC1(C)C(=O)N(C(=O)NCC2(O)CCNCC2)c2ccccc21
InChIInChI=1S/C17H23N3O3/c1-16(2)12-5-3-4-6-13(12)20(14(16)21)15(22)19-11-17(23)7-9-18-10-8-17/h3-6,18,23H,7-11H2,1-2H3,(H,19,22)
InChIKeyVVPWRCVWAYAXTE-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.13
Rot. Bonds2

About N-[(4-hydroxypiperidin-4-yl)methyl]-3,3-dimethyl-2-oxoindole-1-carboxamide

N-[(4-hydroxypiperidin-4-yl)methyl]-3,3-dimethyl-2-oxoindole-1-carboxamide (PubChem CID 67233261) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[(4-hydroxypiperidin-4-yl)methyl]-3,3-dimethyl-2-oxoindole-1-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxypiperidin-4-yl)methyl]-3,3-dimethyl-2-oxoindole-1-carboxamide
PubChem CID67233261
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-[(4-hydroxypiperidin-4-yl)methyl]-3,3-dimethyl-2-oxoindole-1-carboxamide
SMILESCC1(C)C(=O)N(C(=O)NCC2(O)CCNCC2)c2ccccc21
InChIInChI=1S/C17H23N3O3/c1-16(2)12-5-3-4-6-13(12)20(14(16)21)15(22)19-11-17(23)7-9-18-10-8-17/h3-6,18,23H,7-11H2,1-2H3,(H,19,22)
InChIKeyVVPWRCVWAYAXTE-UHFFFAOYSA-N
XLogP1.13
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxypiperidin-4-yl)methyl]-3,3-dimethyl-2-oxoindole-1-carboxamide?
The IUPAC name of N-[(4-hydroxypiperidin-4-yl)methyl]-3,3-dimethyl-2-oxoindole-1-carboxamide (CID 67233261) is N-[(4-hydroxypiperidin-4-yl)methyl]-3,3-dimethyl-2-oxoindole-1-carboxamide.
What is the SMILES notation for N-[(4-hydroxypiperidin-4-yl)methyl]-3,3-dimethyl-2-oxoindole-1-carboxamide?
The canonical SMILES for N-[(4-hydroxypiperidin-4-yl)methyl]-3,3-dimethyl-2-oxoindole-1-carboxamide is CC1(C)C(=O)N(C(=O)NCC2(O)CCNCC2)c2ccccc21.
What is the InChIKey of N-[(4-hydroxypiperidin-4-yl)methyl]-3,3-dimethyl-2-oxoindole-1-carboxamide?
The InChIKey is VVPWRCVWAYAXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-16(2)12-5-3-4-6-13(12)20(14(16)21)15(22)19-11-17(23)7-9-18-10-8-17/h3-6,18,23H,7-11H2,1-2H3,(H,19,22).
What are the key properties of N-[(4-hydroxypiperidin-4-yl)methyl]-3,3-dimethyl-2-oxoindole-1-carboxamide?
N-[(4-hydroxypiperidin-4-yl)methyl]-3,3-dimethyl-2-oxoindole-1-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 1.13, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxypiperidin-4-yl)methyl]-3,3-dimethyl-2-oxoindole-1-carboxamide is sourced from PubChem (CID 67233261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).