2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-methyl-N-(oxolan-3-yl)acetamide

C30H40N4O2 — CID 134329321

IUPAC2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-methyl-N-(oxolan-3-yl)acetamide
SMILESCc1cc(-c2[nH]c3ccc(C4CCN(CC(=O)N(C)C5CCOC5)CC4)cc3c2C(C)C)cc(C)n1
InChIInChI=1S/C30H40N4O2/c1-19(2)29-26-16-23(6-7-27(26)32-30(29)24-14-20(3)31-21(4)15-24)22-8-11-34(12-9-22)17-28(35)33(5)25-10-13-36-18-25/h6-7,14-16,19,22,25,32H,8-13,17-18H2,1-5H3
InChIKeyAJAOUYPPDSYIIC-UHFFFAOYSA-N
MW488.68 g/mol
LogP5.40
Rot. Bonds6

About 2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-methyl-N-(oxolan-3-yl)acetamide

2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-methyl-N-(oxolan-3-yl)acetamide (PubChem CID 134329321) has the molecular formula C30H40N4O2 and a molecular weight of 488.68 g/mol. Its IUPAC name is 2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-methyl-N-(oxolan-3-yl)acetamide.

Molecular Properties

Compound Name2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-methyl-N-(oxolan-3-yl)acetamide
PubChem CID134329321
Molecular FormulaC30H40N4O2
Molecular Weight488.68 g/mol
Exact Mass488.32
IUPAC Name2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-methyl-N-(oxolan-3-yl)acetamide
SMILESCc1cc(-c2[nH]c3ccc(C4CCN(CC(=O)N(C)C5CCOC5)CC4)cc3c2C(C)C)cc(C)n1
InChIInChI=1S/C30H40N4O2/c1-19(2)29-26-16-23(6-7-27(26)32-30(29)24-14-20(3)31-21(4)15-24)22-8-11-34(12-9-22)17-28(35)33(5)25-10-13-36-18-25/h6-7,14-16,19,22,25,32H,8-13,17-18H2,1-5H3
InChIKeyAJAOUYPPDSYIIC-UHFFFAOYSA-N
XLogP5.40
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.68
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-methyl-N-(oxolan-3-yl)acetamide with MolForge

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Related Compounds

1-(8-Methyl-1,3,4,5-tetrahydro-pyrido[4,3-b]indol-2-yl)-2-piperidin-1-yl-ethanone
CID 937085
Cambridge id 7354412
CID 2185058
2-[(1,3-dioxolan-2-ylmethyl)(methyl)amino]-1-(8-methyl-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)ethanone
CID 934909
2-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone
CID 4371580
CID 10274635
CID 10274635
3-Amino-1-(1,3,4,9-tetrahydro-6-methyl-1-phenyl-2H-pyrido[3,4-b]indol-2-yl)-1-propanone
CID 46224759
N,N-dimethyl-2-[5-methyl-3-(morpholin-4-ylmethyl)-1H-indol-2-yl]ethanamine
CID 709293
US10660877, Example 588
CID 134330171
1H-Pyrido(3,4-b)indole, 2,3,4,9-tetrahydro-2-((dimethylamino)acetyl)-1-(3-pyridinyl)-
CID 365592
(8S)-2-ethyl-5-[(2-methylpropan-2-yl)oxymethyl]-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione
CID 397165
(8S)-5-[(2-methylpropan-2-yl)oxymethyl]-2-phenyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione
CID 397169
(8S)-2-cyclohexyl-5-[(2-methylpropan-2-yl)oxymethyl]-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione
CID 397174

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-methyl-N-(oxolan-3-yl)acetamide?
The IUPAC name of 2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-methyl-N-(oxolan-3-yl)acetamide (CID 134329321) is 2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-methyl-N-(oxolan-3-yl)acetamide.
What is the SMILES notation for 2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-methyl-N-(oxolan-3-yl)acetamide?
The canonical SMILES for 2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-methyl-N-(oxolan-3-yl)acetamide is Cc1cc(-c2[nH]c3ccc(C4CCN(CC(=O)N(C)C5CCOC5)CC4)cc3c2C(C)C)cc(C)n1.
What is the InChIKey of 2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-methyl-N-(oxolan-3-yl)acetamide?
The InChIKey is AJAOUYPPDSYIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40N4O2/c1-19(2)29-26-16-23(6-7-27(26)32-30(29)24-14-20(3)31-21(4)15-24)22-8-11-34(12-9-22)17-28(35)33(5)25-10-13-36-18-25/h6-7,14-16,19,22,25,32H,8-13,17-18H2,1-5H3.
What are the key properties of 2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-methyl-N-(oxolan-3-yl)acetamide?
2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-methyl-N-(oxolan-3-yl)acetamide has a molecular weight of 488.68 g/mol, XLogP of 5.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-methyl-N-(oxolan-3-yl)acetamide is sourced from PubChem (CID 134329321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).