4-(hydroxymethyl)-N-(3-indol-1-ylpropyl)-4-methylpiperidine-1-carboxamide

C19H27N3O2 — CID 136531373

IUPAC4-(hydroxymethyl)-N-(3-indol-1-ylpropyl)-4-methylpiperidine-1-carboxamide
SMILESCC1(CO)CCN(C(=O)NCCCn2ccc3ccccc32)CC1
InChIInChI=1S/C19H27N3O2/c1-19(15-23)8-13-22(14-9-19)18(24)20-10-4-11-21-12-7-16-5-2-3-6-17(16)21/h2-3,5-7,12,23H,4,8-11,13-15H2,1H3,(H,20,24)
InChIKeyYNAISQRYNKCDNM-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.84
Rot. Bonds5

About 4-(hydroxymethyl)-N-(3-indol-1-ylpropyl)-4-methylpiperidine-1-carboxamide

4-(hydroxymethyl)-N-(3-indol-1-ylpropyl)-4-methylpiperidine-1-carboxamide (PubChem CID 136531373) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 4-(hydroxymethyl)-N-(3-indol-1-ylpropyl)-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-N-(3-indol-1-ylpropyl)-4-methylpiperidine-1-carboxamide
PubChem CID136531373
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name4-(hydroxymethyl)-N-(3-indol-1-ylpropyl)-4-methylpiperidine-1-carboxamide
SMILESCC1(CO)CCN(C(=O)NCCCn2ccc3ccccc32)CC1
InChIInChI=1S/C19H27N3O2/c1-19(15-23)8-13-22(14-9-19)18(24)20-10-4-11-21-12-7-16-5-2-3-6-17(16)21/h2-3,5-7,12,23H,4,8-11,13-15H2,1H3,(H,20,24)
InChIKeyYNAISQRYNKCDNM-UHFFFAOYSA-N
XLogP2.84
TPSA57.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-indol-1-ylpropyl)-4-methylsulfonylpiperazine-1-carboxamide
CID 132761951
1-hydroxy-N-(3-indol-1-ylpropyl)cyclopentane-1-carboxamide
CID 110907067
2,2-difluoro-N-(3-indol-1-ylpropyl)acetamide
CID 113218212
N-(3-indol-1-ylpropyl)-N'-methylpyrrolidine-1-carboximidamide
CID 110933615
1-(3-indol-1-ylpropyl)-3-(3-piperidin-1-ylpropyl)urea
CID 112806234
1-[[2-(hydroxymethyl)phenyl]methyl]-3-(3-indol-1-ylpropyl)urea
CID 110911712
(2S)-N-(3-indol-1-ylpropyl)-2-methylsulfonylpropanamide
CID 94154350
N-(3-indol-1-ylpropyl)-2-methyl-2-(methylamino)propanamide
CID 62845640
N-(3-indol-1-ylpropyl)-1-methylpyrrole-2-carboxamide
CID 78799397
1-(3-indol-1-ylpropyl)-2-methyl-3-[4-(4-methylpiperazin-1-yl)butyl]guanidine;hydroiodide
CID 111341528
2-ethyl-5-(3-indol-1-ylpropylcarbamoyl)furan-3-carboxylic acid
CID 120820708
(3R)-3-(imidazol-1-ylmethyl)-N-(3-indol-1-ylpropyl)piperidine-1-carboxamide
CID 126433574

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-N-(3-indol-1-ylpropyl)-4-methylpiperidine-1-carboxamide?
The IUPAC name of 4-(hydroxymethyl)-N-(3-indol-1-ylpropyl)-4-methylpiperidine-1-carboxamide (CID 136531373) is 4-(hydroxymethyl)-N-(3-indol-1-ylpropyl)-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for 4-(hydroxymethyl)-N-(3-indol-1-ylpropyl)-4-methylpiperidine-1-carboxamide?
The canonical SMILES for 4-(hydroxymethyl)-N-(3-indol-1-ylpropyl)-4-methylpiperidine-1-carboxamide is CC1(CO)CCN(C(=O)NCCCn2ccc3ccccc32)CC1.
What is the InChIKey of 4-(hydroxymethyl)-N-(3-indol-1-ylpropyl)-4-methylpiperidine-1-carboxamide?
The InChIKey is YNAISQRYNKCDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-19(15-23)8-13-22(14-9-19)18(24)20-10-4-11-21-12-7-16-5-2-3-6-17(16)21/h2-3,5-7,12,23H,4,8-11,13-15H2,1H3,(H,20,24).
What are the key properties of 4-(hydroxymethyl)-N-(3-indol-1-ylpropyl)-4-methylpiperidine-1-carboxamide?
4-(hydroxymethyl)-N-(3-indol-1-ylpropyl)-4-methylpiperidine-1-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-N-(3-indol-1-ylpropyl)-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 136531373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).