5-[1-[(3-methyloxetan-3-yl)methyl]piperidin-4-yl]-2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indole

C27H35N3O — CID 134329295

IUPAC5-[1-[(3-methyloxetan-3-yl)methyl]piperidin-4-yl]-2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indole
SMILESCc1cc(-c2[nH]c3ccc(C4CCN(CC5(C)COC5)CC4)cc3c2C(C)C)ccn1
InChIInChI=1S/C27H35N3O/c1-18(2)25-23-14-21(20-8-11-30(12-9-20)15-27(4)16-31-17-27)5-6-24(23)29-26(25)22-7-10-28-19(3)13-22/h5-7,10,13-14,18,20,29H,8-9,11-12,15-17H2,1-4H3
InChIKeyDNQWQQGOJIGANI-UHFFFAOYSA-N
MW417.60 g/mol
LogP5.88
Rot. Bonds5

About 5-[1-[(3-methyloxetan-3-yl)methyl]piperidin-4-yl]-2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indole

5-[1-[(3-methyloxetan-3-yl)methyl]piperidin-4-yl]-2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indole (PubChem CID 134329295) has the molecular formula C27H35N3O and a molecular weight of 417.60 g/mol. Its IUPAC name is 5-[1-[(3-methyloxetan-3-yl)methyl]piperidin-4-yl]-2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indole.

Molecular Properties

Compound Name5-[1-[(3-methyloxetan-3-yl)methyl]piperidin-4-yl]-2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indole
PubChem CID134329295
Molecular FormulaC27H35N3O
Molecular Weight417.60 g/mol
Exact Mass417.28
IUPAC Name5-[1-[(3-methyloxetan-3-yl)methyl]piperidin-4-yl]-2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indole
SMILESCc1cc(-c2[nH]c3ccc(C4CCN(CC5(C)COC5)CC4)cc3c2C(C)C)ccn1
InChIInChI=1S/C27H35N3O/c1-18(2)25-23-14-21(20-8-11-30(12-9-20)15-27(4)16-31-17-27)5-6-24(23)29-26(25)22-7-10-28-19(3)13-22/h5-7,10,13-14,18,20,29H,8-9,11-12,15-17H2,1-4H3
InChIKeyDNQWQQGOJIGANI-UHFFFAOYSA-N
XLogP5.88
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.60
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[1-[(3-methyloxetan-3-yl)methyl]piperidin-4-yl]-2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indole with MolForge

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Related Compounds

Indalpine
CID 44668
Latrepirdine
CID 197033
Indole, 3-((4-methylpiperidino)methyl)-
CID 30438
5-Methyltryptamine
CID 15760
3-(Morpholinomethyl)indole
CID 21477
3-(2-(4-Pyridyl)ethyl)indole
CID 27934
Gevotroline
CID 60547
Alx-0646
CID 9860595
2-(2,6-dimethylpyridin-4-yl)-3-isopropyl-5-(piperidin-4-yl)-1H-indole
CID 134329228
3-(1-Benzyl-1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
CID 6618861
3-(4-pyridyl)-1H-indole
CID 644354
5-Methyl-N,N-dimethyltryptamine
CID 1837

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(3-methyloxetan-3-yl)methyl]piperidin-4-yl]-2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indole?
The IUPAC name of 5-[1-[(3-methyloxetan-3-yl)methyl]piperidin-4-yl]-2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indole (CID 134329295) is 5-[1-[(3-methyloxetan-3-yl)methyl]piperidin-4-yl]-2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indole.
What is the SMILES notation for 5-[1-[(3-methyloxetan-3-yl)methyl]piperidin-4-yl]-2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indole?
The canonical SMILES for 5-[1-[(3-methyloxetan-3-yl)methyl]piperidin-4-yl]-2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indole is Cc1cc(-c2[nH]c3ccc(C4CCN(CC5(C)COC5)CC4)cc3c2C(C)C)ccn1.
What is the InChIKey of 5-[1-[(3-methyloxetan-3-yl)methyl]piperidin-4-yl]-2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indole?
The InChIKey is DNQWQQGOJIGANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O/c1-18(2)25-23-14-21(20-8-11-30(12-9-20)15-27(4)16-31-17-27)5-6-24(23)29-26(25)22-7-10-28-19(3)13-22/h5-7,10,13-14,18,20,29H,8-9,11-12,15-17H2,1-4H3.
What are the key properties of 5-[1-[(3-methyloxetan-3-yl)methyl]piperidin-4-yl]-2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indole?
5-[1-[(3-methyloxetan-3-yl)methyl]piperidin-4-yl]-2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indole has a molecular weight of 417.60 g/mol, XLogP of 5.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(3-methyloxetan-3-yl)methyl]piperidin-4-yl]-2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indole is sourced from PubChem (CID 134329295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).