indolizin-2-yl-[(3R)-3-(methylaminomethyl)piperidin-1-yl]methanone

C16H21N3O — CID 124594675

IUPACindolizin-2-yl-[(3R)-3-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNC[C@H]1CCCN(C(=O)c2cc3ccccn3c2)C1
InChIInChI=1S/C16H21N3O/c1-17-10-13-5-4-8-19(11-13)16(20)14-9-15-6-2-3-7-18(15)12-14/h2-3,6-7,9,12-13,17H,4-5,8,10-11H2,1H3/t13-/m1/s1
InChIKeyKXZSXFKWCGMRNP-CYBMUJFWSA-N
MW271.36 g/mol
LogP2.01
Rot. Bonds3

About indolizin-2-yl-[(3R)-3-(methylaminomethyl)piperidin-1-yl]methanone

indolizin-2-yl-[(3R)-3-(methylaminomethyl)piperidin-1-yl]methanone (PubChem CID 124594675) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is indolizin-2-yl-[(3R)-3-(methylaminomethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Nameindolizin-2-yl-[(3R)-3-(methylaminomethyl)piperidin-1-yl]methanone
PubChem CID124594675
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Nameindolizin-2-yl-[(3R)-3-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNC[C@H]1CCCN(C(=O)c2cc3ccccn3c2)C1
InChIInChI=1S/C16H21N3O/c1-17-10-13-5-4-8-19(11-13)16(20)14-9-15-6-2-3-7-18(15)12-14/h2-3,6-7,9,12-13,17H,4-5,8,10-11H2,1H3/t13-/m1/s1
InChIKeyKXZSXFKWCGMRNP-CYBMUJFWSA-N
XLogP2.01
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-hydroxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61204151
(3,4-dihydroxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 107728705
[3-(methylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 61204344
(3-iodophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119395286
2-[3-(methylaminomethyl)piperidine-1-carbonyl]benzoic acid
CID 61403916
(4-fluorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119397460
[3-(methylaminomethyl)piperidin-1-yl]-(3,4,5-trifluorophenyl)methanone;hydrochloride
CID 119398801
1-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]propan-1-one
CID 119397428
[3-(methylaminomethyl)piperidin-1-yl]-(2-methyl-4-pyridinyl)methanone
CID 106753585
[3-(methylaminomethyl)piperidin-1-yl]-(3-methylsulfonylphenyl)methanone
CID 61205641
(4-methoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61205449
[3-(methylaminomethyl)piperidin-1-yl]-(2-sulfanylphenyl)methanone
CID 107024092

Frequently Asked Questions

What is the IUPAC name of indolizin-2-yl-[(3R)-3-(methylaminomethyl)piperidin-1-yl]methanone?
The IUPAC name of indolizin-2-yl-[(3R)-3-(methylaminomethyl)piperidin-1-yl]methanone (CID 124594675) is indolizin-2-yl-[(3R)-3-(methylaminomethyl)piperidin-1-yl]methanone.
What is the SMILES notation for indolizin-2-yl-[(3R)-3-(methylaminomethyl)piperidin-1-yl]methanone?
The canonical SMILES for indolizin-2-yl-[(3R)-3-(methylaminomethyl)piperidin-1-yl]methanone is CNC[C@H]1CCCN(C(=O)c2cc3ccccn3c2)C1.
What is the InChIKey of indolizin-2-yl-[(3R)-3-(methylaminomethyl)piperidin-1-yl]methanone?
The InChIKey is KXZSXFKWCGMRNP-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H21N3O/c1-17-10-13-5-4-8-19(11-13)16(20)14-9-15-6-2-3-7-18(15)12-14/h2-3,6-7,9,12-13,17H,4-5,8,10-11H2,1H3/t13-/m1/s1.
What are the key properties of indolizin-2-yl-[(3R)-3-(methylaminomethyl)piperidin-1-yl]methanone?
indolizin-2-yl-[(3R)-3-(methylaminomethyl)piperidin-1-yl]methanone has a molecular weight of 271.36 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for indolizin-2-yl-[(3R)-3-(methylaminomethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 124594675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).