(2R)-2-amino-1-[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]propan-1-one

C17H25N3O — CID 119861404

IUPAC(2R)-2-amino-1-[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]propan-1-one
SMILESC[C@@H](N)C(=O)N1CCC(CN2CCc3ccccc32)CC1
InChIInChI=1S/C17H25N3O/c1-13(18)17(21)19-9-6-14(7-10-19)12-20-11-8-15-4-2-3-5-16(15)20/h2-5,13-14H,6-12,18H2,1H3/t13-/m1/s1
InChIKeyCHJHGKBNAYXPHW-CYBMUJFWSA-N
MW287.41 g/mol
LogP1.63
Rot. Bonds3

About (2R)-2-amino-1-[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]propan-1-one

(2R)-2-amino-1-[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]propan-1-one (PubChem CID 119861404) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is (2R)-2-amino-1-[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]propan-1-one
PubChem CID119861404
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name(2R)-2-amino-1-[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]propan-1-one
SMILESC[C@@H](N)C(=O)N1CCC(CN2CCc3ccccc32)CC1
InChIInChI=1S/C17H25N3O/c1-13(18)17(21)19-9-6-14(7-10-19)12-20-11-8-15-4-2-3-5-16(15)20/h2-5,13-14H,6-12,18H2,1H3/t13-/m1/s1
InChIKeyCHJHGKBNAYXPHW-CYBMUJFWSA-N
XLogP1.63
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]butanoic acid
CID 124623164
(E)-1-[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]-4-(dimethylamino)but-2-en-1-one
CID 154872105
2-[benzyl(methyl)amino]-1-[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]ethanone
CID 86936566
[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]-(6-propan-2-yloxy-3-pyridinyl)methanone
CID 86936569
2-amino-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 20806588
[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone
CID 120939908
1-[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propan-1-one
CID 86936560
(2R)-2-amino-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119276186
(2S)-2-amino-1-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]propan-1-one;dihydrochloride
CID 119875257
3-(3,4-difluorophenyl)-1-[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]propan-1-one
CID 86936518
4-(2,3-dihydroindol-1-yl)butan-2-amine
CID 60748123
2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]propanamide
CID 61274113

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of (2R)-2-amino-1-[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]propan-1-one (CID 119861404) is (2R)-2-amino-1-[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-amino-1-[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-amino-1-[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]propan-1-one is C[C@@H](N)C(=O)N1CCC(CN2CCc3ccccc32)CC1.
What is the InChIKey of (2R)-2-amino-1-[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]propan-1-one?
The InChIKey is CHJHGKBNAYXPHW-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H25N3O/c1-13(18)17(21)19-9-6-14(7-10-19)12-20-11-8-15-4-2-3-5-16(15)20/h2-5,13-14H,6-12,18H2,1H3/t13-/m1/s1.
What are the key properties of (2R)-2-amino-1-[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]propan-1-one?
(2R)-2-amino-1-[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]propan-1-one has a molecular weight of 287.41 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 119861404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).