1,3-dimethyl-5-(piperidin-4-ylmethyl)-3H-indol-2-one

C16H22N2O — CID 117399773

IUPAC1,3-dimethyl-5-(piperidin-4-ylmethyl)-3H-indol-2-one
SMILESCC1C(=O)N(C)c2ccc(CC3CCNCC3)cc21
InChIInChI=1S/C16H22N2O/c1-11-14-10-13(9-12-5-7-17-8-6-12)3-4-15(14)18(2)16(11)19/h3-4,10-12,17H,5-9H2,1-2H3
InChIKeyPYDQZRYRRDANLD-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.31
Rot. Bonds2

About 1,3-dimethyl-5-(piperidin-4-ylmethyl)-3H-indol-2-one

1,3-dimethyl-5-(piperidin-4-ylmethyl)-3H-indol-2-one (PubChem CID 117399773) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 1,3-dimethyl-5-(piperidin-4-ylmethyl)-3H-indol-2-one.

Molecular Properties

Compound Name1,3-dimethyl-5-(piperidin-4-ylmethyl)-3H-indol-2-one
PubChem CID117399773
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name1,3-dimethyl-5-(piperidin-4-ylmethyl)-3H-indol-2-one
SMILESCC1C(=O)N(C)c2ccc(CC3CCNCC3)cc21
InChIInChI=1S/C16H22N2O/c1-11-14-10-13(9-12-5-7-17-8-6-12)3-4-15(14)18(2)16(11)19/h3-4,10-12,17H,5-9H2,1-2H3
InChIKeyPYDQZRYRRDANLD-UHFFFAOYSA-N
XLogP2.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1,3-dimethyl-2-oxo-3H-indol-5-yl)acetonitrile
CID 84775817
3-methyl-6-(piperidin-4-ylmethyl)-1H-benzimidazol-2-one
CID 117365590
4-[(3-methyl-2,3-dihydro-1H-inden-5-yl)methyl]piperidine
CID 84793092
5-(piperidin-4-ylmethyl)-2H-benzotriazole
CID 84784846
4-[(4-fluoro-3-propan-2-ylphenyl)methyl]piperidine
CID 117343574
4-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)piperidine
CID 23294446
1-methyl-4-[4-(piperidin-4-ylmethyl)phenyl]piperazine-2,3-dione
CID 117485669
4-[(4-cyclopropyl-3-methoxyphenyl)methyl]piperidine
CID 117366089
1-[6-(piperidin-4-ylmethyl)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 82260237
2-cyclopropyl-6-(piperidin-4-ylmethyl)-3H-isoindol-1-one
CID 117429366
5-(piperidin-4-ylmethyl)-1,3-dihydroindol-2-one
CID 82231323
4-[(3-methyl-4-methylsulfonylphenyl)methyl]piperidine
CID 117422375

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(piperidin-4-ylmethyl)-3H-indol-2-one?
The IUPAC name of 1,3-dimethyl-5-(piperidin-4-ylmethyl)-3H-indol-2-one (CID 117399773) is 1,3-dimethyl-5-(piperidin-4-ylmethyl)-3H-indol-2-one.
What is the SMILES notation for 1,3-dimethyl-5-(piperidin-4-ylmethyl)-3H-indol-2-one?
The canonical SMILES for 1,3-dimethyl-5-(piperidin-4-ylmethyl)-3H-indol-2-one is CC1C(=O)N(C)c2ccc(CC3CCNCC3)cc21.
What is the InChIKey of 1,3-dimethyl-5-(piperidin-4-ylmethyl)-3H-indol-2-one?
The InChIKey is PYDQZRYRRDANLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-11-14-10-13(9-12-5-7-17-8-6-12)3-4-15(14)18(2)16(11)19/h3-4,10-12,17H,5-9H2,1-2H3.
What are the key properties of 1,3-dimethyl-5-(piperidin-4-ylmethyl)-3H-indol-2-one?
1,3-dimethyl-5-(piperidin-4-ylmethyl)-3H-indol-2-one has a molecular weight of 258.37 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(piperidin-4-ylmethyl)-3H-indol-2-one is sourced from PubChem (CID 117399773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).