N-[1-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-4-yl]-1,2,2,6,6-pentamethylpiperidin-4-amine

C34H50N4O2 — CID 154639349

IUPACN-[1-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-4-yl]-1,2,2,6,6-pentamethylpiperidin-4-amine
SMILESCOc1ccc(-c2[nH]c3ccc(N4CCC(NC5CC(C)(C)N(C)C(C)(C)C5)CC4)cc3c2C(C)C)cc1OC
InChIInChI=1S/C34H50N4O2/c1-22(2)31-27-19-26(11-12-28(27)36-32(31)23-10-13-29(39-8)30(18-23)40-9)38-16-14-24(15-17-38)35-25-20-33(3,4)37(7)34(5,6)21-25/h10-13,18-19,22,24-25,35-36H,14-17,20-21H2,1-9H3
InChIKeySZMWGZWWZHFZLS-UHFFFAOYSA-N
MW546.80 g/mol
LogP7.19
Rot. Bonds7

About N-[1-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-4-yl]-1,2,2,6,6-pentamethylpiperidin-4-amine

N-[1-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-4-yl]-1,2,2,6,6-pentamethylpiperidin-4-amine (PubChem CID 154639349) has the molecular formula C34H50N4O2 and a molecular weight of 546.80 g/mol. Its IUPAC name is N-[1-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-4-yl]-1,2,2,6,6-pentamethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[1-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-4-yl]-1,2,2,6,6-pentamethylpiperidin-4-amine
PubChem CID154639349
Molecular FormulaC34H50N4O2
Molecular Weight546.80 g/mol
Exact Mass546.39
IUPAC NameN-[1-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-4-yl]-1,2,2,6,6-pentamethylpiperidin-4-amine
SMILESCOc1ccc(-c2[nH]c3ccc(N4CCC(NC5CC(C)(C)N(C)C(C)(C)C5)CC4)cc3c2C(C)C)cc1OC
InChIInChI=1S/C34H50N4O2/c1-22(2)31-27-19-26(11-12-28(27)36-32(31)23-10-13-29(39-8)30(18-23)40-9)38-16-14-24(15-17-38)35-25-20-33(3,4)37(7)34(5,6)21-25/h10-13,18-19,22,24-25,35-36H,14-17,20-21H2,1-9H3
InChIKeySZMWGZWWZHFZLS-UHFFFAOYSA-N
XLogP7.19
TPSA52.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.80
LogP ≤ 57.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine
CID 154639333
2-[1-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]-4-(methylamino)piperidin-4-yl]acetonitrile
CID 150158949
2-[4-[4-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]phenyl]-1,4-diazepan-1-yl]ethanol
CID 154639938
2-(3,4-dimethoxyphenyl)-3-ethyl-5-[4-(2,2,6,6-tetramethylpiperidin-4-yl)piperazin-1-yl]-1H-indole
CID 150673498
2-[4-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanamine
CID 134231010
2-(3,4-dimethoxyphenyl)-3-propan-2-yl-5-(1H-pyrrol-3-yl)-1H-indole
CID 150155217
2-(3,4-dimethoxyphenyl)-5-(1-piperidin-4-ylpiperidin-4-yl)-3-propan-2-yl-1H-indole
CID 134230324
methyl 2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indole-5-carboxylate
CID 154640119
N-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]pyrrolidine-3-carboxamide
CID 151232986
2-[[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]oxy]-N-[(3R)-piperidin-3-yl]acetamide
CID 138688906
4-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-2-one
CID 134230320
4-[3-[4-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]phenyl]propyl]morpholine
CID 151018513

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-4-yl]-1,2,2,6,6-pentamethylpiperidin-4-amine?
The IUPAC name of N-[1-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-4-yl]-1,2,2,6,6-pentamethylpiperidin-4-amine (CID 154639349) is N-[1-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-4-yl]-1,2,2,6,6-pentamethylpiperidin-4-amine.
What is the SMILES notation for N-[1-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-4-yl]-1,2,2,6,6-pentamethylpiperidin-4-amine?
The canonical SMILES for N-[1-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-4-yl]-1,2,2,6,6-pentamethylpiperidin-4-amine is COc1ccc(-c2[nH]c3ccc(N4CCC(NC5CC(C)(C)N(C)C(C)(C)C5)CC4)cc3c2C(C)C)cc1OC.
What is the InChIKey of N-[1-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-4-yl]-1,2,2,6,6-pentamethylpiperidin-4-amine?
The InChIKey is SZMWGZWWZHFZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H50N4O2/c1-22(2)31-27-19-26(11-12-28(27)36-32(31)23-10-13-29(39-8)30(18-23)40-9)38-16-14-24(15-17-38)35-25-20-33(3,4)37(7)34(5,6)21-25/h10-13,18-19,22,24-25,35-36H,14-17,20-21H2,1-9H3.
What are the key properties of N-[1-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-4-yl]-1,2,2,6,6-pentamethylpiperidin-4-amine?
N-[1-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-4-yl]-1,2,2,6,6-pentamethylpiperidin-4-amine has a molecular weight of 546.80 g/mol, XLogP of 7.19, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-4-yl]-1,2,2,6,6-pentamethylpiperidin-4-amine is sourced from PubChem (CID 154639349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).