(4-amino-3-methylpiperidin-1-yl)-(1H-indol-7-yl)methanone

C15H19N3O — CID 79879645

IUPAC(4-amino-3-methylpiperidin-1-yl)-(1H-indol-7-yl)methanone
SMILESCC1CN(C(=O)c2cccc3cc[nH]c23)CCC1N
InChIInChI=1S/C15H19N3O/c1-10-9-18(8-6-13(10)16)15(19)12-4-2-3-11-5-7-17-14(11)12/h2-5,7,10,13,17H,6,8-9,16H2,1H3
InChIKeyYLDZTUWWTJXIKZ-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.98
Rot. Bonds1

About (4-amino-3-methylpiperidin-1-yl)-(1H-indol-7-yl)methanone

(4-amino-3-methylpiperidin-1-yl)-(1H-indol-7-yl)methanone (PubChem CID 79879645) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is (4-amino-3-methylpiperidin-1-yl)-(1H-indol-7-yl)methanone.

Molecular Properties

Compound Name(4-amino-3-methylpiperidin-1-yl)-(1H-indol-7-yl)methanone
PubChem CID79879645
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name(4-amino-3-methylpiperidin-1-yl)-(1H-indol-7-yl)methanone
SMILESCC1CN(C(=O)c2cccc3cc[nH]c23)CCC1N
InChIInChI=1S/C15H19N3O/c1-10-9-18(8-6-13(10)16)15(19)12-4-2-3-11-5-7-17-14(11)12/h2-5,7,10,13,17H,6,8-9,16H2,1H3
InChIKeyYLDZTUWWTJXIKZ-UHFFFAOYSA-N
XLogP1.98
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,9-diazabicyclo[4.2.1]nonan-3-yl(1H-indol-7-yl)methanone
CID 115313973
methyl 1-(1H-indole-7-carbonyl)pyrrolidine-3-carboxylate
CID 79035876
1H-indol-7-yl-(2-methylthiomorpholin-4-yl)methanone
CID 113244798
(3,4-dihydroxypyrrolidin-1-yl)-(1H-indol-7-yl)methanone
CID 106671264
(4-amino-3-methylpiperidin-1-yl)-(2-bromo-3-methylphenyl)methanone
CID 114023943
(4-amino-3-methylpiperidin-1-yl)-(3-chloro-2-fluorophenyl)methanone
CID 81266324
(2-ethylthiomorpholin-4-yl)-(1H-indol-7-yl)methanone
CID 115661617
(4-amino-3-methylpiperidin-1-yl)-(2-methylsulfanylphenyl)methanone;hydrochloride
CID 119592341
(4-amino-3-methylpiperidin-1-yl)-(2-methoxyphenyl)methanone;hydrochloride
CID 119592557
1-(1H-indole-7-carbonyl)piperidin-4-one
CID 112531297
(4-amino-3-methylpiperidin-1-yl)-(2,3-dimethoxyphenyl)methanone;hydrochloride
CID 119592562
[4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-(1H-indol-7-yl)methanone
CID 95866622

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-methylpiperidin-1-yl)-(1H-indol-7-yl)methanone?
The IUPAC name of (4-amino-3-methylpiperidin-1-yl)-(1H-indol-7-yl)methanone (CID 79879645) is (4-amino-3-methylpiperidin-1-yl)-(1H-indol-7-yl)methanone.
What is the SMILES notation for (4-amino-3-methylpiperidin-1-yl)-(1H-indol-7-yl)methanone?
The canonical SMILES for (4-amino-3-methylpiperidin-1-yl)-(1H-indol-7-yl)methanone is CC1CN(C(=O)c2cccc3cc[nH]c23)CCC1N.
What is the InChIKey of (4-amino-3-methylpiperidin-1-yl)-(1H-indol-7-yl)methanone?
The InChIKey is YLDZTUWWTJXIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10-9-18(8-6-13(10)16)15(19)12-4-2-3-11-5-7-17-14(11)12/h2-5,7,10,13,17H,6,8-9,16H2,1H3.
What are the key properties of (4-amino-3-methylpiperidin-1-yl)-(1H-indol-7-yl)methanone?
(4-amino-3-methylpiperidin-1-yl)-(1H-indol-7-yl)methanone has a molecular weight of 257.34 g/mol, XLogP of 1.98, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-methylpiperidin-1-yl)-(1H-indol-7-yl)methanone is sourced from PubChem (CID 79879645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).