2-(hydroxymethyl)-N-(1H-indol-2-ylmethyl)piperidine-1-carboxamide

C16H21N3O2 — CID 119073104

IUPAC2-(hydroxymethyl)-N-(1H-indol-2-ylmethyl)piperidine-1-carboxamide
SMILESO=C(NCc1cc2ccccc2[nH]1)N1CCCCC1CO
InChIInChI=1S/C16H21N3O2/c20-11-14-6-3-4-8-19(14)16(21)17-10-13-9-12-5-1-2-7-15(12)18-13/h1-2,5,7,9,14,18,20H,3-4,6,8,10-11H2,(H,17,21)
InChIKeySPUWMTQNHNSSNS-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.22
Rot. Bonds3

About 2-(hydroxymethyl)-N-(1H-indol-2-ylmethyl)piperidine-1-carboxamide

2-(hydroxymethyl)-N-(1H-indol-2-ylmethyl)piperidine-1-carboxamide (PubChem CID 119073104) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-(hydroxymethyl)-N-(1H-indol-2-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-N-(1H-indol-2-ylmethyl)piperidine-1-carboxamide
PubChem CID119073104
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-(hydroxymethyl)-N-(1H-indol-2-ylmethyl)piperidine-1-carboxamide
SMILESO=C(NCc1cc2ccccc2[nH]1)N1CCCCC1CO
InChIInChI=1S/C16H21N3O2/c20-11-14-6-3-4-8-19(14)16(21)17-10-13-9-12-5-1-2-7-15(12)18-13/h1-2,5,7,9,14,18,20H,3-4,6,8,10-11H2,(H,17,21)
InChIKeySPUWMTQNHNSSNS-UHFFFAOYSA-N
XLogP2.22
TPSA68.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1H-indol-2-ylmethyl)-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 60605560
1-cyclopentyl-N-(1H-indol-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 71935324
(2S)-N-(1H-indol-2-ylmethyl)-2-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carboxamide
CID 126433879
1H-indol-2-ylmethylcarbamic acid
CID 68691362
(2R)-N-[3-(1H-benzimidazol-2-yl)propyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 86800699
3-[1-[2-(2-oxo-1H-quinolin-3-yl)acetyl]piperidin-2-yl]propanoic acid
CID 126790396
N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(hydroxymethyl)piperidine-1-carboxamide
CID 122572561
4-hydroxy-N-(1H-indol-2-ylmethyl)-4-(trifluoromethyl)piperidine-1-carboxamide
CID 75443027
(2R)-2-(1H-indol-2-yl)-N-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-carboxamide
CID 98900942
(2S)-2-(hydroxymethyl)-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 111427679
N-(1H-indol-2-ylmethyl)-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111210616
2-[[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66380362

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-N-(1H-indol-2-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of 2-(hydroxymethyl)-N-(1H-indol-2-ylmethyl)piperidine-1-carboxamide (CID 119073104) is 2-(hydroxymethyl)-N-(1H-indol-2-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for 2-(hydroxymethyl)-N-(1H-indol-2-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for 2-(hydroxymethyl)-N-(1H-indol-2-ylmethyl)piperidine-1-carboxamide is O=C(NCc1cc2ccccc2[nH]1)N1CCCCC1CO.
What is the InChIKey of 2-(hydroxymethyl)-N-(1H-indol-2-ylmethyl)piperidine-1-carboxamide?
The InChIKey is SPUWMTQNHNSSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c20-11-14-6-3-4-8-19(14)16(21)17-10-13-9-12-5-1-2-7-15(12)18-13/h1-2,5,7,9,14,18,20H,3-4,6,8,10-11H2,(H,17,21).
What are the key properties of 2-(hydroxymethyl)-N-(1H-indol-2-ylmethyl)piperidine-1-carboxamide?
2-(hydroxymethyl)-N-(1H-indol-2-ylmethyl)piperidine-1-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 2.22, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-N-(1H-indol-2-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 119073104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).