methyl 2-[1-[5-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]piperidin-3-yl]-2-methylpropanoate

C24H29N3O3 — CID 133444559

IUPACmethyl 2-[1-[5-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]piperidin-3-yl]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)C1CCCN(c2ccc(C(=O)N3CCc4ccccc43)cn2)C1
InChIInChI=1S/C24H29N3O3/c1-24(2,23(29)30-3)19-8-6-13-26(16-19)21-11-10-18(15-25-21)22(28)27-14-12-17-7-4-5-9-20(17)27/h4-5,7,9-11,15,19H,6,8,12-14,16H2,1-3H3
InChIKeyPCJWCZGBEXXUPL-UHFFFAOYSA-N
MW407.51 g/mol
LogP3.70
Rot. Bonds4

About methyl 2-[1-[5-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]piperidin-3-yl]-2-methylpropanoate

methyl 2-[1-[5-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]piperidin-3-yl]-2-methylpropanoate (PubChem CID 133444559) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is methyl 2-[1-[5-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]piperidin-3-yl]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[1-[5-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]piperidin-3-yl]-2-methylpropanoate
PubChem CID133444559
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Namemethyl 2-[1-[5-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]piperidin-3-yl]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)C1CCCN(c2ccc(C(=O)N3CCc4ccccc43)cn2)C1
InChIInChI=1S/C24H29N3O3/c1-24(2,23(29)30-3)19-8-6-13-26(16-19)21-11-10-18(15-25-21)22(28)27-14-12-17-7-4-5-9-20(17)27/h4-5,7,9-11,15,19H,6,8,12-14,16H2,1-3H3
InChIKeyPCJWCZGBEXXUPL-UHFFFAOYSA-N
XLogP3.70
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[1-[5-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]piperidin-3-yl]-2-methylpropanoate with MolForge

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Related Compounds

methyl 2-[1-(5-bromo-2-pyridinyl)piperidin-3-yl]-2-methylpropanoate
CID 133444478
1-[4-[5-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]piperazin-1-yl]ethanone
CID 109155110
methyl 1-(6-pyrrolidin-1-ylpyridine-3-carbonyl)-3,4-dihydro-2H-quinoline-4-carboxylate
CID 75395498
2,3-dihydroindol-1-yl-[6-[[(1S,2S)-2-hydroxycyclohexyl]amino]-3-pyridinyl]methanone
CID 97017175
2,3-dihydroindol-1-yl-[6-[(2-piperidin-1-ylphenyl)methylamino]-3-pyridinyl]methanone
CID 133439711
3,4-dihydro-2H-quinolin-1-yl-[6-(ethylamino)-3-pyridinyl]methanone
CID 62172128
methyl 6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-3-carboxylate
CID 31676778
3,4-dihydro-2H-quinolin-1-yl-(6-fluoro-3-pyridinyl)methanone
CID 63972350
[6-[2-cyclopropylethyl(methyl)amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 133398579
[2-(tert-butylamino)pyrimidin-5-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109262976
3,4-dihydro-2H-quinolin-1-yl-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]methanone
CID 109250910
2,3-dihydroindol-1-yl-[6-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methylamino]-3-pyridinyl]methanone
CID 133357945

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[5-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]piperidin-3-yl]-2-methylpropanoate?
The IUPAC name of methyl 2-[1-[5-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]piperidin-3-yl]-2-methylpropanoate (CID 133444559) is methyl 2-[1-[5-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]piperidin-3-yl]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[1-[5-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]piperidin-3-yl]-2-methylpropanoate?
The canonical SMILES for methyl 2-[1-[5-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]piperidin-3-yl]-2-methylpropanoate is COC(=O)C(C)(C)C1CCCN(c2ccc(C(=O)N3CCc4ccccc43)cn2)C1.
What is the InChIKey of methyl 2-[1-[5-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]piperidin-3-yl]-2-methylpropanoate?
The InChIKey is PCJWCZGBEXXUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-24(2,23(29)30-3)19-8-6-13-26(16-19)21-11-10-18(15-25-21)22(28)27-14-12-17-7-4-5-9-20(17)27/h4-5,7,9-11,15,19H,6,8,12-14,16H2,1-3H3.
What are the key properties of methyl 2-[1-[5-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]piperidin-3-yl]-2-methylpropanoate?
methyl 2-[1-[5-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]piperidin-3-yl]-2-methylpropanoate has a molecular weight of 407.51 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[5-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]piperidin-3-yl]-2-methylpropanoate is sourced from PubChem (CID 133444559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).