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

C18H26N4 — CID 111108923

IUPACN'-[3-(1H-indol-3-yl)propyl]-4-methylpiperidine-1-carboximidamide
SMILESCC1CCN(/C(N)=N/CCCc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C18H26N4/c1-14-8-11-22(12-9-14)18(19)20-10-4-5-15-13-21-17-7-3-2-6-16(15)17/h2-3,6-7,13-14,21H,4-5,8-12H2,1H3,(H2,19,20)
InChIKeyMPFXYPPNFRBKFJ-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.15
Rot. Bonds4

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

N'-[3-(1H-indol-3-yl)propyl]-4-methylpiperidine-1-carboximidamide (PubChem CID 111108923) has the molecular formula C18H26N4 and a molecular weight of 298.43 g/mol. Its IUPAC name is N'-[3-(1H-indol-3-yl)propyl]-4-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[3-(1H-indol-3-yl)propyl]-4-methylpiperidine-1-carboximidamide
PubChem CID111108923
Molecular FormulaC18H26N4
Molecular Weight298.43 g/mol
Exact Mass298.22
IUPAC NameN'-[3-(1H-indol-3-yl)propyl]-4-methylpiperidine-1-carboximidamide
SMILESCC1CCN(/C(N)=N/CCCc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C18H26N4/c1-14-8-11-22(12-9-14)18(19)20-10-4-5-15-13-21-17-7-3-2-6-16(15)17/h2-3,6-7,13-14,21H,4-5,8-12H2,1H3,(H2,19,20)
InChIKeyMPFXYPPNFRBKFJ-UHFFFAOYSA-N
XLogP3.15
TPSA57.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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'-[2-(1H-indol-3-yl)ethyl]-4-methylpiperidine-1-carboximidamide
CID 110919550
4-methyl-N'-[2-(6-methyl-1H-indol-3-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 110920739
1-cyclohexyl-2-[3-(1H-indol-3-yl)propyl]guanidine
CID 111806478
(2S)-2-amino-3-(1H-indol-3-yl)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 22691497
2-(1H-indol-3-yl)-1-(4-methylazepan-1-yl)ethanone
CID 62047169
N'-[2-(1H-benzimidazol-2-yl)ethyl]-4-methylpiperidine-1-carboximidamide
CID 110919750
N'-[2-(2-chlorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110920368
4-methyl-N'-(3-phenoxypropyl)piperidine-1-carboximidamide;hydroiodide
CID 110919520
1-butyl-2-[3-(1H-indol-3-yl)propyl]guanidine
CID 111806494
1-(1-butylpiperidin-4-yl)-3-ethyl-2-[3-(1H-indol-3-yl)propyl]guanidine;hydroiodide
CID 111984660
2-[3-(1H-indol-3-yl)propyl]-1-(4-methylphenyl)guanidine
CID 111806458
N-[2-(1H-indol-3-yl)ethyl]-4-(4-methylpiperidine-1-carbonyl)benzamide
CID 109044889

Frequently Asked Questions

What is the IUPAC name of N'-[3-(1H-indol-3-yl)propyl]-4-methylpiperidine-1-carboximidamide?
The IUPAC name of N'-[3-(1H-indol-3-yl)propyl]-4-methylpiperidine-1-carboximidamide (CID 111108923) is N'-[3-(1H-indol-3-yl)propyl]-4-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-[3-(1H-indol-3-yl)propyl]-4-methylpiperidine-1-carboximidamide?
The canonical SMILES for N'-[3-(1H-indol-3-yl)propyl]-4-methylpiperidine-1-carboximidamide is CC1CCN(/C(N)=N/CCCc2c[nH]c3ccccc23)CC1.
What is the InChIKey of N'-[3-(1H-indol-3-yl)propyl]-4-methylpiperidine-1-carboximidamide?
The InChIKey is MPFXYPPNFRBKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4/c1-14-8-11-22(12-9-14)18(19)20-10-4-5-15-13-21-17-7-3-2-6-16(15)17/h2-3,6-7,13-14,21H,4-5,8-12H2,1H3,(H2,19,20).
What are the key properties of N'-[3-(1H-indol-3-yl)propyl]-4-methylpiperidine-1-carboximidamide?
N'-[3-(1H-indol-3-yl)propyl]-4-methylpiperidine-1-carboximidamide has a molecular weight of 298.43 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(1H-indol-3-yl)propyl]-4-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 111108923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).