N-(cyclohexylmethyl)-3-[1-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]piperidin-4-yl]-1H-indol-5-amine

C32H46N4O — CID 44535164

IUPACN-(cyclohexylmethyl)-3-[1-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]piperidin-4-yl]-1H-indol-5-amine
SMILESCN(C)CCCOc1ccc(CN2CCC(c3c[nH]c4ccc(NCC5CCCCC5)cc34)CC2)cc1
InChIInChI=1S/C32H46N4O/c1-35(2)17-6-20-37-29-12-9-26(10-13-29)24-36-18-15-27(16-19-36)31-23-34-32-14-11-28(21-30(31)32)33-22-25-7-4-3-5-8-25/h9-14,21,23,25,27,33-34H,3-8,15-20,22,24H2,1-2H3
InChIKeyCORZZNBXJYYTRT-UHFFFAOYSA-N
MW502.75 g/mol
LogP6.87
Rot. Bonds11

About N-(cyclohexylmethyl)-3-[1-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]piperidin-4-yl]-1H-indol-5-amine

N-(cyclohexylmethyl)-3-[1-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]piperidin-4-yl]-1H-indol-5-amine (PubChem CID 44535164) has the molecular formula C32H46N4O and a molecular weight of 502.75 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-3-[1-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]piperidin-4-yl]-1H-indol-5-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-3-[1-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]piperidin-4-yl]-1H-indol-5-amine
PubChem CID44535164
Molecular FormulaC32H46N4O
Molecular Weight502.75 g/mol
Exact Mass502.37
IUPAC NameN-(cyclohexylmethyl)-3-[1-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]piperidin-4-yl]-1H-indol-5-amine
SMILESCN(C)CCCOc1ccc(CN2CCC(c3c[nH]c4ccc(NCC5CCCCC5)cc34)CC2)cc1
InChIInChI=1S/C32H46N4O/c1-35(2)17-6-20-37-29-12-9-26(10-13-29)24-36-18-15-27(16-19-36)31-23-34-32-14-11-28(21-30(31)32)33-22-25-7-4-3-5-8-25/h9-14,21,23,25,27,33-34H,3-8,15-20,22,24H2,1-2H3
InChIKeyCORZZNBXJYYTRT-UHFFFAOYSA-N
XLogP6.87
TPSA43.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.75
LogP ≤ 56.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-3-[1-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]piperidin-4-yl]-1H-indol-5-amine?
The IUPAC name of N-(cyclohexylmethyl)-3-[1-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]piperidin-4-yl]-1H-indol-5-amine (CID 44535164) is N-(cyclohexylmethyl)-3-[1-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]piperidin-4-yl]-1H-indol-5-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-3-[1-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]piperidin-4-yl]-1H-indol-5-amine?
The canonical SMILES for N-(cyclohexylmethyl)-3-[1-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]piperidin-4-yl]-1H-indol-5-amine is CN(C)CCCOc1ccc(CN2CCC(c3c[nH]c4ccc(NCC5CCCCC5)cc34)CC2)cc1.
What is the InChIKey of N-(cyclohexylmethyl)-3-[1-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]piperidin-4-yl]-1H-indol-5-amine?
The InChIKey is CORZZNBXJYYTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H46N4O/c1-35(2)17-6-20-37-29-12-9-26(10-13-29)24-36-18-15-27(16-19-36)31-23-34-32-14-11-28(21-30(31)32)33-22-25-7-4-3-5-8-25/h9-14,21,23,25,27,33-34H,3-8,15-20,22,24H2,1-2H3.
What are the key properties of N-(cyclohexylmethyl)-3-[1-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]piperidin-4-yl]-1H-indol-5-amine?
N-(cyclohexylmethyl)-3-[1-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]piperidin-4-yl]-1H-indol-5-amine has a molecular weight of 502.75 g/mol, XLogP of 6.87, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-3-[1-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]piperidin-4-yl]-1H-indol-5-amine is sourced from PubChem (CID 44535164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).