[(3R,4S)-4-amino-3-methoxypiperidin-1-yl]-(1-methylindazol-3-yl)methanone

C15H20N4O2 — CID 133122142

IUPAC[(3R,4S)-4-amino-3-methoxypiperidin-1-yl]-(1-methylindazol-3-yl)methanone
SMILESCO[C@@H]1CN(C(=O)c2nn(C)c3ccccc23)CC[C@@H]1N
InChIInChI=1S/C15H20N4O2/c1-18-12-6-4-3-5-10(12)14(17-18)15(20)19-8-7-11(16)13(9-19)21-2/h3-6,11,13H,7-9,16H2,1-2H3/t11-,13+/m0/s1
InChIKeyFQOQHCIVPKMDIC-WCQYABFASA-N
MW288.35 g/mol
LogP0.76
Rot. Bonds2

About [(3R,4S)-4-amino-3-methoxypiperidin-1-yl]-(1-methylindazol-3-yl)methanone

[(3R,4S)-4-amino-3-methoxypiperidin-1-yl]-(1-methylindazol-3-yl)methanone (PubChem CID 133122142) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is [(3R,4S)-4-amino-3-methoxypiperidin-1-yl]-(1-methylindazol-3-yl)methanone.

Molecular Properties

Compound Name[(3R,4S)-4-amino-3-methoxypiperidin-1-yl]-(1-methylindazol-3-yl)methanone
PubChem CID133122142
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name[(3R,4S)-4-amino-3-methoxypiperidin-1-yl]-(1-methylindazol-3-yl)methanone
SMILESCO[C@@H]1CN(C(=O)c2nn(C)c3ccccc23)CC[C@@H]1N
InChIInChI=1S/C15H20N4O2/c1-18-12-6-4-3-5-10(12)14(17-18)15(20)19-8-7-11(16)13(9-19)21-2/h3-6,11,13H,7-9,16H2,1-2H3/t11-,13+/m0/s1
InChIKeyFQOQHCIVPKMDIC-WCQYABFASA-N
XLogP0.76
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone
CID 103120147
[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone
CID 166081502
[3-(methylamino)pyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone
CID 103121000
(4-bromopiperidin-1-yl)-(1-methylindazol-3-yl)methanone
CID 103122439
(1-methylindazol-3-yl)-pyrrolidin-1-ylmethanone
CID 110848618
N-[(3S,4S)-4-(hydroxymethyl)-1-(1-methylindazole-3-carbonyl)piperidin-3-yl]cyclopropanecarboxamide
CID 91910006
[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]-(1-methylindazol-3-yl)methanone
CID 126892556
(3S)-4-(cyclopropylmethyl)-1-(1-methylindazole-3-carbonyl)-3-propan-2-yl-1,4-diazepan-5-one
CID 95713276
4-ethyl-2-methyl-5-[1-(1-methylindazole-3-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 56721319
(1-methylindazol-3-yl)-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 121019723
[(3R,4S)-4-amino-3-methoxypiperidin-1-yl]-(3-phenyltriazol-4-yl)methanone
CID 133128635
1-[1-[1-(1-methylindazole-3-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126948210

Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-4-amino-3-methoxypiperidin-1-yl]-(1-methylindazol-3-yl)methanone?
The IUPAC name of [(3R,4S)-4-amino-3-methoxypiperidin-1-yl]-(1-methylindazol-3-yl)methanone (CID 133122142) is [(3R,4S)-4-amino-3-methoxypiperidin-1-yl]-(1-methylindazol-3-yl)methanone.
What is the SMILES notation for [(3R,4S)-4-amino-3-methoxypiperidin-1-yl]-(1-methylindazol-3-yl)methanone?
The canonical SMILES for [(3R,4S)-4-amino-3-methoxypiperidin-1-yl]-(1-methylindazol-3-yl)methanone is CO[C@@H]1CN(C(=O)c2nn(C)c3ccccc23)CC[C@@H]1N.
What is the InChIKey of [(3R,4S)-4-amino-3-methoxypiperidin-1-yl]-(1-methylindazol-3-yl)methanone?
The InChIKey is FQOQHCIVPKMDIC-WCQYABFASA-N. The full InChI is InChI=1S/C15H20N4O2/c1-18-12-6-4-3-5-10(12)14(17-18)15(20)19-8-7-11(16)13(9-19)21-2/h3-6,11,13H,7-9,16H2,1-2H3/t11-,13+/m0/s1.
What are the key properties of [(3R,4S)-4-amino-3-methoxypiperidin-1-yl]-(1-methylindazol-3-yl)methanone?
[(3R,4S)-4-amino-3-methoxypiperidin-1-yl]-(1-methylindazol-3-yl)methanone has a molecular weight of 288.35 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-4-amino-3-methoxypiperidin-1-yl]-(1-methylindazol-3-yl)methanone is sourced from PubChem (CID 133122142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).