3-[3-[3-(3-methoxyphenyl)piperidin-1-yl]propyl]-1H-indole

C23H28N2O — CID 70046463

IUPAC3-[3-[3-(3-methoxyphenyl)piperidin-1-yl]propyl]-1H-indole
SMILESCOc1cccc(C2CCCN(CCCc3c[nH]c4ccccc34)C2)c1
InChIInChI=1S/C23H28N2O/c1-26-21-10-4-7-18(15-21)20-9-6-14-25(17-20)13-5-8-19-16-24-23-12-3-2-11-22(19)23/h2-4,7,10-12,15-16,20,24H,5-6,8-9,13-14,17H2,1H3
InChIKeyRSODCYRPVUAKSJ-UHFFFAOYSA-N
MW348.49 g/mol
LogP4.99
Rot. Bonds6

About 3-[3-[3-(3-methoxyphenyl)piperidin-1-yl]propyl]-1H-indole

3-[3-[3-(3-methoxyphenyl)piperidin-1-yl]propyl]-1H-indole (PubChem CID 70046463) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is 3-[3-[3-(3-methoxyphenyl)piperidin-1-yl]propyl]-1H-indole.

Molecular Properties

Compound Name3-[3-[3-(3-methoxyphenyl)piperidin-1-yl]propyl]-1H-indole
PubChem CID70046463
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC Name3-[3-[3-(3-methoxyphenyl)piperidin-1-yl]propyl]-1H-indole
SMILESCOc1cccc(C2CCCN(CCCc3c[nH]c4ccccc34)C2)c1
InChIInChI=1S/C23H28N2O/c1-26-21-10-4-7-18(15-21)20-9-6-14-25(17-20)13-5-8-19-16-24-23-12-3-2-11-22(19)23/h2-4,7,10-12,15-16,20,24H,5-6,8-9,13-14,17H2,1H3
InChIKeyRSODCYRPVUAKSJ-UHFFFAOYSA-N
XLogP4.99
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-(3-methoxyphenyl)-1-(3-phenylpropyl)piperidine
CID 54564163
3-[4-[3-(3-hydroxyphenyl)piperidin-1-yl]butyl]-1H-indol-5-ol
CID 70044177
deuterioethane;3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenol;3-[[3-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-1H-indole;tribromoborane
CID 158056167
3-[4-[3-(3-hydroxyphenyl)piperidin-1-yl]butyl]-1H-indole-6-carboxylic acid
CID 19786713
3-[4-[4-(1H-indol-3-yl)piperidin-1-yl]butyl]-5-methoxy-1H-indole;hydrochloride
CID 131720346
3-[4-[3-(2-fluorophenyl)piperidin-1-yl]butyl]-1H-indole
CID 70044838
(3S)-1-ethyl-3-(3-methoxyphenyl)piperidine
CID 22856997
7-bromo-3-[4-(3-phenylpiperidin-1-yl)butyl]-1H-indole
CID 70046544
3-[[3-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1H-indole
CID 155258071
3-[3-[4-[(S)-(4-methoxyphenyl)-phenylmethyl]piperazin-1-yl]propyl]-1H-indole
CID 6990058
1-[2-(1H-indol-3-yl)ethyl]piperidin-3-ol
CID 3054781
3-[5-[3-(3-methoxyphenyl)-1,2,3,6-tetrahydropyridin-2-yl]pentyl]-1H-indole
CID 70044622

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-(3-methoxyphenyl)piperidin-1-yl]propyl]-1H-indole?
The IUPAC name of 3-[3-[3-(3-methoxyphenyl)piperidin-1-yl]propyl]-1H-indole (CID 70046463) is 3-[3-[3-(3-methoxyphenyl)piperidin-1-yl]propyl]-1H-indole.
What is the SMILES notation for 3-[3-[3-(3-methoxyphenyl)piperidin-1-yl]propyl]-1H-indole?
The canonical SMILES for 3-[3-[3-(3-methoxyphenyl)piperidin-1-yl]propyl]-1H-indole is COc1cccc(C2CCCN(CCCc3c[nH]c4ccccc34)C2)c1.
What is the InChIKey of 3-[3-[3-(3-methoxyphenyl)piperidin-1-yl]propyl]-1H-indole?
The InChIKey is RSODCYRPVUAKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O/c1-26-21-10-4-7-18(15-21)20-9-6-14-25(17-20)13-5-8-19-16-24-23-12-3-2-11-22(19)23/h2-4,7,10-12,15-16,20,24H,5-6,8-9,13-14,17H2,1H3.
What are the key properties of 3-[3-[3-(3-methoxyphenyl)piperidin-1-yl]propyl]-1H-indole?
3-[3-[3-(3-methoxyphenyl)piperidin-1-yl]propyl]-1H-indole has a molecular weight of 348.49 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-(3-methoxyphenyl)piperidin-1-yl]propyl]-1H-indole is sourced from PubChem (CID 70046463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).