(3-aminopiperidin-1-yl)-[1-[(E)-3-[1-[(5-fluoro-2-pyridinyl)methyl]indol-2-yl]but-2-en-2-yl]-2-methylidene-4-pyridinyl]methanone

C30H32FN5O — CID 162730462

IUPAC(3-aminopiperidin-1-yl)-[1-[(E)-3-[1-[(5-fluoro-2-pyridinyl)methyl]indol-2-yl]but-2-en-2-yl]-2-methylidene-4-pyridinyl]methanone
SMILESC=C1C=C(C(=O)N2CCCC(N)C2)C=CN1/C(C)=C(\C)c1cc2ccccc2n1Cc1ccc(F)cn1
InChIInChI=1S/C30H32FN5O/c1-20-15-24(30(37)34-13-6-8-26(32)18-34)12-14-35(20)22(3)21(2)29-16-23-7-4-5-9-28(23)36(29)19-27-11-10-25(31)17-33-27/h4-5,7,9-12,14-17,26H,1,6,8,13,18-19,32H2,2-3H3/b22-21+
InChIKeyISSBMMMROKNWIC-QURGRASLSA-N
MW497.62 g/mol
LogP5.19
Rot. Bonds5

About (3-aminopiperidin-1-yl)-[1-[(E)-3-[1-[(5-fluoro-2-pyridinyl)methyl]indol-2-yl]but-2-en-2-yl]-2-methylidene-4-pyridinyl]methanone

(3-aminopiperidin-1-yl)-[1-[(E)-3-[1-[(5-fluoro-2-pyridinyl)methyl]indol-2-yl]but-2-en-2-yl]-2-methylidene-4-pyridinyl]methanone (PubChem CID 162730462) has the molecular formula C30H32FN5O and a molecular weight of 497.62 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-[1-[(E)-3-[1-[(5-fluoro-2-pyridinyl)methyl]indol-2-yl]but-2-en-2-yl]-2-methylidene-4-pyridinyl]methanone.

Molecular Properties

Compound Name(3-aminopiperidin-1-yl)-[1-[(E)-3-[1-[(5-fluoro-2-pyridinyl)methyl]indol-2-yl]but-2-en-2-yl]-2-methylidene-4-pyridinyl]methanone
PubChem CID162730462
Molecular FormulaC30H32FN5O
Molecular Weight497.62 g/mol
Exact Mass497.26
IUPAC Name(3-aminopiperidin-1-yl)-[1-[(E)-3-[1-[(5-fluoro-2-pyridinyl)methyl]indol-2-yl]but-2-en-2-yl]-2-methylidene-4-pyridinyl]methanone
SMILESC=C1C=C(C(=O)N2CCCC(N)C2)C=CN1/C(C)=C(\C)c1cc2ccccc2n1Cc1ccc(F)cn1
InChIInChI=1S/C30H32FN5O/c1-20-15-24(30(37)34-13-6-8-26(32)18-34)12-14-35(20)22(3)21(2)29-16-23-7-4-5-9-28(23)36(29)19-27-11-10-25(31)17-33-27/h4-5,7,9-12,14-17,26H,1,6,8,13,18-19,32H2,2-3H3/b22-21+
InChIKeyISSBMMMROKNWIC-QURGRASLSA-N
XLogP5.19
TPSA67.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.62
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3-aminopiperidin-1-yl)-[1-[(E)-3-[1-[(5-fluoro-2-pyridinyl)methyl]indol-2-yl]but-2-en-2-yl]-2-methylidene-4-pyridinyl]methanone with MolForge

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Launch Full Analysis

Related Compounds

(3-aminopiperidin-1-yl)-[1-[(2E,4E)-3,4-dimethyl-5-(2-methylphenyl)penta-2,4-dien-2-yl]-2-methylidene-4-pyridinyl]methanone;propan-1-amine
CID 162730506
[(3R)-3-aminopiperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone
CID 102983529
(3-aminopiperidin-1-yl)-[2-[1-[(2-fluorophenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone
CID 155011359
[1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-(1-phenylethyl)piperidin-1-yl]methanone
CID 70799314
(3-aminopiperidin-1-yl)-[2-(1-ethyl-5-fluoroindol-2-yl)-3-methyl-1,8a-dihydroimidazo[1,2-a]pyridin-7-yl]methanone
CID 162730463
(3-aminopiperidin-1-yl)-(2,5-difluorophenyl)methanone;hydrochloride
CID 119378374
2-[(3S)-1-(1-methylindole-2-carbonyl)piperidin-3-yl]acetamide
CID 95786373
3-[(3R)-1-(1-ethylindole-2-carbonyl)piperidin-3-yl]propanoic acid
CID 129414879
(1-benzylindol-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 71893736
[(3R)-3-aminopiperidin-1-yl]-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]methanone
CID 124593980
[(3R)-3-aminopiperidin-1-yl]-(5-fluoro-2-methylphenyl)methanone
CID 102978340
[(3R)-3-aminopiperidin-1-yl]-(2,6-difluorophenyl)methanone
CID 102978457

Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-[1-[(E)-3-[1-[(5-fluoro-2-pyridinyl)methyl]indol-2-yl]but-2-en-2-yl]-2-methylidene-4-pyridinyl]methanone?
The IUPAC name of (3-aminopiperidin-1-yl)-[1-[(E)-3-[1-[(5-fluoro-2-pyridinyl)methyl]indol-2-yl]but-2-en-2-yl]-2-methylidene-4-pyridinyl]methanone (CID 162730462) is (3-aminopiperidin-1-yl)-[1-[(E)-3-[1-[(5-fluoro-2-pyridinyl)methyl]indol-2-yl]but-2-en-2-yl]-2-methylidene-4-pyridinyl]methanone.
What is the SMILES notation for (3-aminopiperidin-1-yl)-[1-[(E)-3-[1-[(5-fluoro-2-pyridinyl)methyl]indol-2-yl]but-2-en-2-yl]-2-methylidene-4-pyridinyl]methanone?
The canonical SMILES for (3-aminopiperidin-1-yl)-[1-[(E)-3-[1-[(5-fluoro-2-pyridinyl)methyl]indol-2-yl]but-2-en-2-yl]-2-methylidene-4-pyridinyl]methanone is C=C1C=C(C(=O)N2CCCC(N)C2)C=CN1/C(C)=C(\C)c1cc2ccccc2n1Cc1ccc(F)cn1.
What is the InChIKey of (3-aminopiperidin-1-yl)-[1-[(E)-3-[1-[(5-fluoro-2-pyridinyl)methyl]indol-2-yl]but-2-en-2-yl]-2-methylidene-4-pyridinyl]methanone?
The InChIKey is ISSBMMMROKNWIC-QURGRASLSA-N. The full InChI is InChI=1S/C30H32FN5O/c1-20-15-24(30(37)34-13-6-8-26(32)18-34)12-14-35(20)22(3)21(2)29-16-23-7-4-5-9-28(23)36(29)19-27-11-10-25(31)17-33-27/h4-5,7,9-12,14-17,26H,1,6,8,13,18-19,32H2,2-3H3/b22-21+.
What are the key properties of (3-aminopiperidin-1-yl)-[1-[(E)-3-[1-[(5-fluoro-2-pyridinyl)methyl]indol-2-yl]but-2-en-2-yl]-2-methylidene-4-pyridinyl]methanone?
(3-aminopiperidin-1-yl)-[1-[(E)-3-[1-[(5-fluoro-2-pyridinyl)methyl]indol-2-yl]but-2-en-2-yl]-2-methylidene-4-pyridinyl]methanone has a molecular weight of 497.62 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopiperidin-1-yl)-[1-[(E)-3-[1-[(5-fluoro-2-pyridinyl)methyl]indol-2-yl]but-2-en-2-yl]-2-methylidene-4-pyridinyl]methanone is sourced from PubChem (CID 162730462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).