2-(3,4-dimethoxyphenyl)-N,3-diethyl-N-piperidin-4-yl-1H-indol-5-amine

C25H33N3O2 — CID 155226591

IUPAC2-(3,4-dimethoxyphenyl)-N,3-diethyl-N-piperidin-4-yl-1H-indol-5-amine
SMILESCCc1c(-c2ccc(OC)c(OC)c2)[nH]c2ccc(N(CC)C3CCNCC3)cc12
InChIInChI=1S/C25H33N3O2/c1-5-20-21-16-19(28(6-2)18-11-13-26-14-12-18)8-9-22(21)27-25(20)17-7-10-23(29-3)24(15-17)30-4/h7-10,15-16,18,26-27H,5-6,11-14H2,1-4H3
InChIKeyLVXWPCBCEVSFDN-UHFFFAOYSA-N
MW407.56 g/mol
LogP4.99
Rot. Bonds7

About 2-(3,4-dimethoxyphenyl)-N,3-diethyl-N-piperidin-4-yl-1H-indol-5-amine

2-(3,4-dimethoxyphenyl)-N,3-diethyl-N-piperidin-4-yl-1H-indol-5-amine (PubChem CID 155226591) has the molecular formula C25H33N3O2 and a molecular weight of 407.56 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N,3-diethyl-N-piperidin-4-yl-1H-indol-5-amine.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N,3-diethyl-N-piperidin-4-yl-1H-indol-5-amine
PubChem CID155226591
Molecular FormulaC25H33N3O2
Molecular Weight407.56 g/mol
Exact Mass407.26
IUPAC Name2-(3,4-dimethoxyphenyl)-N,3-diethyl-N-piperidin-4-yl-1H-indol-5-amine
SMILESCCc1c(-c2ccc(OC)c(OC)c2)[nH]c2ccc(N(CC)C3CCNCC3)cc12
InChIInChI=1S/C25H33N3O2/c1-5-20-21-16-19(28(6-2)18-11-13-26-14-12-18)8-9-22(21)27-25(20)17-7-10-23(29-3)24(15-17)30-4/h7-10,15-16,18,26-27H,5-6,11-14H2,1-4H3
InChIKeyLVXWPCBCEVSFDN-UHFFFAOYSA-N
XLogP4.99
TPSA49.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N,3-diethyl-N-piperidin-4-yl-1H-indol-5-amine?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N,3-diethyl-N-piperidin-4-yl-1H-indol-5-amine (CID 155226591) is 2-(3,4-dimethoxyphenyl)-N,3-diethyl-N-piperidin-4-yl-1H-indol-5-amine.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N,3-diethyl-N-piperidin-4-yl-1H-indol-5-amine?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N,3-diethyl-N-piperidin-4-yl-1H-indol-5-amine is CCc1c(-c2ccc(OC)c(OC)c2)[nH]c2ccc(N(CC)C3CCNCC3)cc12.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N,3-diethyl-N-piperidin-4-yl-1H-indol-5-amine?
The InChIKey is LVXWPCBCEVSFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O2/c1-5-20-21-16-19(28(6-2)18-11-13-26-14-12-18)8-9-22(21)27-25(20)17-7-10-23(29-3)24(15-17)30-4/h7-10,15-16,18,26-27H,5-6,11-14H2,1-4H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-N,3-diethyl-N-piperidin-4-yl-1H-indol-5-amine?
2-(3,4-dimethoxyphenyl)-N,3-diethyl-N-piperidin-4-yl-1H-indol-5-amine has a molecular weight of 407.56 g/mol, XLogP of 4.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N,3-diethyl-N-piperidin-4-yl-1H-indol-5-amine is sourced from PubChem (CID 155226591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).