5-[(piperidin-4-ylmethylamino)methyl]-1,3-dihydroindol-2-one

C15H21N3O — CID 115209941

IUPAC5-[(piperidin-4-ylmethylamino)methyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(CNCC3CCNCC3)ccc2N1
InChIInChI=1S/C15H21N3O/c19-15-8-13-7-12(1-2-14(13)18-15)10-17-9-11-3-5-16-6-4-11/h1-2,7,11,16-17H,3-6,8-10H2,(H,18,19)
InChIKeyBIDDWSZEXHPZDK-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.27
Rot. Bonds4

About 5-[(piperidin-4-ylmethylamino)methyl]-1,3-dihydroindol-2-one

5-[(piperidin-4-ylmethylamino)methyl]-1,3-dihydroindol-2-one (PubChem CID 115209941) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 5-[(piperidin-4-ylmethylamino)methyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[(piperidin-4-ylmethylamino)methyl]-1,3-dihydroindol-2-one
PubChem CID115209941
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name5-[(piperidin-4-ylmethylamino)methyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(CNCC3CCNCC3)ccc2N1
InChIInChI=1S/C15H21N3O/c19-15-8-13-7-12(1-2-14(13)18-15)10-17-9-11-3-5-16-6-4-11/h1-2,7,11,16-17H,3-6,8-10H2,(H,18,19)
InChIKeyBIDDWSZEXHPZDK-UHFFFAOYSA-N
XLogP1.27
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(piperidin-4-ylmethyl)-1,3-dihydroindol-2-one
CID 82231323
5-[(2-hydroxyethylamino)methyl]-1,3-dihydroindol-2-one
CID 82470284
5-[2-(azetidin-3-ylmethylamino)ethyl]-1,3-dihydroindol-2-one
CID 115207779
4-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]butanoic acid
CID 115218605
5-[2-(pyrrolidin-2-ylmethylamino)ethyl]-1,3-dihydroindol-2-one
CID 115208383
5-[[(4-amino-2,2-dimethylbutyl)amino]methyl]-1,3-dihydroindol-2-one
CID 115204416
2,2-dimethyl-3-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]propanoic acid
CID 115136555
N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]cyclohexanecarboxamide
CID 110781277
6-(piperidin-4-ylmethyl)-3,4-dihydro-1H-quinolin-2-one
CID 82232043
3-amino-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]cyclobutane-1-carboxamide
CID 115161516
5-[2-(hydroxymethylamino)ethyl]-1,3-dihydroindol-2-one
CID 115229299
2-(2-oxo-1,3-dihydroindol-5-yl)acetaldehyde
CID 116927299

Frequently Asked Questions

What is the IUPAC name of 5-[(piperidin-4-ylmethylamino)methyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[(piperidin-4-ylmethylamino)methyl]-1,3-dihydroindol-2-one (CID 115209941) is 5-[(piperidin-4-ylmethylamino)methyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[(piperidin-4-ylmethylamino)methyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[(piperidin-4-ylmethylamino)methyl]-1,3-dihydroindol-2-one is O=C1Cc2cc(CNCC3CCNCC3)ccc2N1.
What is the InChIKey of 5-[(piperidin-4-ylmethylamino)methyl]-1,3-dihydroindol-2-one?
The InChIKey is BIDDWSZEXHPZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c19-15-8-13-7-12(1-2-14(13)18-15)10-17-9-11-3-5-16-6-4-11/h1-2,7,11,16-17H,3-6,8-10H2,(H,18,19).
What are the key properties of 5-[(piperidin-4-ylmethylamino)methyl]-1,3-dihydroindol-2-one?
5-[(piperidin-4-ylmethylamino)methyl]-1,3-dihydroindol-2-one has a molecular weight of 259.35 g/mol, XLogP of 1.27, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(piperidin-4-ylmethylamino)methyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 115209941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).