3-[(1-methylindol-3-yl)methylamino]piperidin-2-one

C15H19N3O — CID 107235592

IUPAC3-[(1-methylindol-3-yl)methylamino]piperidin-2-one
SMILESCn1cc(CNC2CCCNC2=O)c2ccccc21
InChIInChI=1S/C15H19N3O/c1-18-10-11(12-5-2-3-7-14(12)18)9-17-13-6-4-8-16-15(13)19/h2-3,5,7,10,13,17H,4,6,8-9H2,1H3,(H,16,19)
InChIKeyYXCZBVPTJXOREJ-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.55
Rot. Bonds3

About 3-[(1-methylindol-3-yl)methylamino]piperidin-2-one

3-[(1-methylindol-3-yl)methylamino]piperidin-2-one (PubChem CID 107235592) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 3-[(1-methylindol-3-yl)methylamino]piperidin-2-one.

Molecular Properties

Compound Name3-[(1-methylindol-3-yl)methylamino]piperidin-2-one
PubChem CID107235592
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name3-[(1-methylindol-3-yl)methylamino]piperidin-2-one
SMILESCn1cc(CNC2CCCNC2=O)c2ccccc21
InChIInChI=1S/C15H19N3O/c1-18-10-11(12-5-2-3-7-14(12)18)9-17-13-6-4-8-16-15(13)19/h2-3,5,7,10,13,17H,4,6,8-9H2,1H3,(H,16,19)
InChIKeyYXCZBVPTJXOREJ-UHFFFAOYSA-N
XLogP1.55
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-ethylphenyl)methylamino]piperidin-2-one
CID 62392646
(8aR,11aS)-1-[(1-methylindol-3-yl)methyl]-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one
CID 110201598
3-[(2-aminophenyl)methylamino]piperidin-2-one
CID 66417485
N-[(1-methylindol-3-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 107235644
3-[(1,5-dimethylpyrazol-4-yl)methylamino]azepan-2-one
CID 79578454
N-[(1-methylindol-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 107234743
(3S)-3-(benzylamino)azepan-2-one
CID 40582762
1-N-[(1-methylindol-3-yl)methyl]cyclopentane-1,2-diamine
CID 115117392
2-[(1-methylindol-3-yl)methylamino]cycloheptan-1-ol
CID 107236127
3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)piperidin-2-one
CID 66415273
3-[(1-propylbenzimidazol-2-yl)methylamino]piperidin-2-one
CID 62093769
3-[(2,3-dichlorophenyl)methylamino]piperidin-2-one
CID 62094465

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylindol-3-yl)methylamino]piperidin-2-one?
The IUPAC name of 3-[(1-methylindol-3-yl)methylamino]piperidin-2-one (CID 107235592) is 3-[(1-methylindol-3-yl)methylamino]piperidin-2-one.
What is the SMILES notation for 3-[(1-methylindol-3-yl)methylamino]piperidin-2-one?
The canonical SMILES for 3-[(1-methylindol-3-yl)methylamino]piperidin-2-one is Cn1cc(CNC2CCCNC2=O)c2ccccc21.
What is the InChIKey of 3-[(1-methylindol-3-yl)methylamino]piperidin-2-one?
The InChIKey is YXCZBVPTJXOREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-18-10-11(12-5-2-3-7-14(12)18)9-17-13-6-4-8-16-15(13)19/h2-3,5,7,10,13,17H,4,6,8-9H2,1H3,(H,16,19).
What are the key properties of 3-[(1-methylindol-3-yl)methylamino]piperidin-2-one?
3-[(1-methylindol-3-yl)methylamino]piperidin-2-one has a molecular weight of 257.34 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylindol-3-yl)methylamino]piperidin-2-one is sourced from PubChem (CID 107235592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).