1-(3-amino-5-methylpiperidin-1-yl)-3-(1H-indol-3-yl)propan-1-one

C17H23N3O — CID 79989530

IUPAC1-(3-amino-5-methylpiperidin-1-yl)-3-(1H-indol-3-yl)propan-1-one
SMILESCC1CC(N)CN(C(=O)CCc2c[nH]c3ccccc23)C1
InChIInChI=1S/C17H23N3O/c1-12-8-14(18)11-20(10-12)17(21)7-6-13-9-19-16-5-3-2-4-15(13)16/h2-5,9,12,14,19H,6-8,10-11,18H2,1H3
InChIKeyKSRYCKZWCVTLHV-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.30
Rot. Bonds3

About 1-(3-amino-5-methylpiperidin-1-yl)-3-(1H-indol-3-yl)propan-1-one

1-(3-amino-5-methylpiperidin-1-yl)-3-(1H-indol-3-yl)propan-1-one (PubChem CID 79989530) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-(3-amino-5-methylpiperidin-1-yl)-3-(1H-indol-3-yl)propan-1-one.

Molecular Properties

Compound Name1-(3-amino-5-methylpiperidin-1-yl)-3-(1H-indol-3-yl)propan-1-one
PubChem CID79989530
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name1-(3-amino-5-methylpiperidin-1-yl)-3-(1H-indol-3-yl)propan-1-one
SMILESCC1CC(N)CN(C(=O)CCc2c[nH]c3ccccc23)C1
InChIInChI=1S/C17H23N3O/c1-12-8-14(18)11-20(10-12)17(21)7-6-13-9-19-16-5-3-2-4-15(13)16/h2-5,9,12,14,19H,6-8,10-11,18H2,1H3
InChIKeyKSRYCKZWCVTLHV-UHFFFAOYSA-N
XLogP2.30
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1H-indol-3-yl)-1-[3-(methoxymethyl)pyrrolidin-1-yl]propan-1-one
CID 64598046
1-[(3S)-3-aminopyrrolidin-1-yl]-4-(1H-indol-3-yl)butan-1-one
CID 94075010
1-(3-hydroxy-4-methylpiperidin-1-yl)-3-(1H-indol-3-yl)propan-1-one
CID 103900607
1-(3,6-dihydro-2H-pyridin-1-yl)-3-(1H-indol-3-yl)propan-1-one
CID 115969994
[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 7665707
1-[3-(1H-indol-3-yl)propanoyl]piperidine-4-carboxamide
CID 17408046
N-[[1-[3-(1H-indol-3-yl)propanoyl]piperidin-3-yl]methyl]methanesulfonamide
CID 55663280
1-[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 56866050
1-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 110108314
1-[3-amino-4-(4-methoxyphenyl)pyrrolidin-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 156606265
ethyl (3R)-3-[1-[3-(1H-indol-3-yl)propanoyl]piperidin-4-yl]-3-phenylpropanoate
CID 51957752
1-[3-(1H-indol-3-yl)propanoyl]-N-methylpiperidine-4-carboxamide
CID 30888669

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-5-methylpiperidin-1-yl)-3-(1H-indol-3-yl)propan-1-one?
The IUPAC name of 1-(3-amino-5-methylpiperidin-1-yl)-3-(1H-indol-3-yl)propan-1-one (CID 79989530) is 1-(3-amino-5-methylpiperidin-1-yl)-3-(1H-indol-3-yl)propan-1-one.
What is the SMILES notation for 1-(3-amino-5-methylpiperidin-1-yl)-3-(1H-indol-3-yl)propan-1-one?
The canonical SMILES for 1-(3-amino-5-methylpiperidin-1-yl)-3-(1H-indol-3-yl)propan-1-one is CC1CC(N)CN(C(=O)CCc2c[nH]c3ccccc23)C1.
What is the InChIKey of 1-(3-amino-5-methylpiperidin-1-yl)-3-(1H-indol-3-yl)propan-1-one?
The InChIKey is KSRYCKZWCVTLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-12-8-14(18)11-20(10-12)17(21)7-6-13-9-19-16-5-3-2-4-15(13)16/h2-5,9,12,14,19H,6-8,10-11,18H2,1H3.
What are the key properties of 1-(3-amino-5-methylpiperidin-1-yl)-3-(1H-indol-3-yl)propan-1-one?
1-(3-amino-5-methylpiperidin-1-yl)-3-(1H-indol-3-yl)propan-1-one has a molecular weight of 285.39 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-5-methylpiperidin-1-yl)-3-(1H-indol-3-yl)propan-1-one is sourced from PubChem (CID 79989530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).