N-[3-(1H-indol-3-yl)propyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide

C24H30N4O — CID 109427030

IUPACN-[3-(1H-indol-3-yl)propyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide
SMILESC/N=C(/NCCCc1c[nH]c2ccccc12)N1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C24H30N4O/c1-25-24(26-15-7-8-19-18-27-23-12-6-5-11-22(19)23)28-16-13-21(14-17-28)29-20-9-3-2-4-10-20/h2-6,9-12,18,21,27H,7-8,13-17H2,1H3,(H,25,26)
InChIKeyRJIDRHOMIBYLRT-UHFFFAOYSA-N
MW390.53 g/mol
LogP4.22
Rot. Bonds6

About N-[3-(1H-indol-3-yl)propyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide

N-[3-(1H-indol-3-yl)propyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide (PubChem CID 109427030) has the molecular formula C24H30N4O and a molecular weight of 390.53 g/mol. Its IUPAC name is N-[3-(1H-indol-3-yl)propyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide.

Molecular Properties

Compound NameN-[3-(1H-indol-3-yl)propyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide
PubChem CID109427030
Molecular FormulaC24H30N4O
Molecular Weight390.53 g/mol
Exact Mass390.24
IUPAC NameN-[3-(1H-indol-3-yl)propyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide
SMILESC/N=C(/NCCCc1c[nH]c2ccccc12)N1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C24H30N4O/c1-25-24(26-15-7-8-19-18-27-23-12-6-5-11-22(19)23)28-16-13-21(14-17-28)29-20-9-3-2-4-10-20/h2-6,9-12,18,21,27H,7-8,13-17H2,1H3,(H,25,26)
InChIKeyRJIDRHOMIBYLRT-UHFFFAOYSA-N
XLogP4.22
TPSA52.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-methyl-4-phenoxy-N-(3-phenylpropyl)piperidine-1-carboximidamide
CID 109427767
N-[3-(1H-indol-3-yl)propyl]-N'-methyl-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboximidamide
CID 111985345
N-[3-(1H-indol-3-yl)propyl]-3-(4-methoxyphenyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111984736
N-[3-(dimethylamino)propyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide
CID 109427771
N-(3-fluoropropyl)-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109425403
N'-methyl-N-(4-methylpentyl)-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109426779
N-[3-(2-methoxyethoxy)propyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide
CID 109426732
N'-methyl-N-[2-(2-methylphenyl)ethyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109425405
3-benzyl-N-[2-(1H-indol-3-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide
CID 111724485
N-[3-(2-methoxyethoxy)propyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109426731
methyl 4-[[N-[3-(1H-indol-3-yl)propyl]-N'-methylcarbamimidoyl]amino]piperidine-1-carboxylate
CID 111984563
N'-methyl-N-(3-methylbutyl)-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109425993

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-indol-3-yl)propyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide?
The IUPAC name of N-[3-(1H-indol-3-yl)propyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide (CID 109427030) is N-[3-(1H-indol-3-yl)propyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide.
What is the SMILES notation for N-[3-(1H-indol-3-yl)propyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide?
The canonical SMILES for N-[3-(1H-indol-3-yl)propyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide is C/N=C(/NCCCc1c[nH]c2ccccc12)N1CCC(Oc2ccccc2)CC1.
What is the InChIKey of N-[3-(1H-indol-3-yl)propyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide?
The InChIKey is RJIDRHOMIBYLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O/c1-25-24(26-15-7-8-19-18-27-23-12-6-5-11-22(19)23)28-16-13-21(14-17-28)29-20-9-3-2-4-10-20/h2-6,9-12,18,21,27H,7-8,13-17H2,1H3,(H,25,26).
What are the key properties of N-[3-(1H-indol-3-yl)propyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide?
N-[3-(1H-indol-3-yl)propyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide has a molecular weight of 390.53 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-indol-3-yl)propyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide is sourced from PubChem (CID 109427030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).