3-(dimethylamino)-N-[2-(1H-indol-5-yl)ethyl]piperidine-1-carboxamide

C18H26N4O — CID 136540342

IUPAC3-(dimethylamino)-N-[2-(1H-indol-5-yl)ethyl]piperidine-1-carboxamide
SMILESCN(C)C1CCCN(C(=O)NCCc2ccc3[nH]ccc3c2)C1
InChIInChI=1S/C18H26N4O/c1-21(2)16-4-3-11-22(13-16)18(23)20-9-7-14-5-6-17-15(12-14)8-10-19-17/h5-6,8,10,12,16,19H,3-4,7,9,11,13H2,1-2H3,(H,20,23)
InChIKeyLESAHSGMSKASJG-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.45
Rot. Bonds4

About 3-(dimethylamino)-N-[2-(1H-indol-5-yl)ethyl]piperidine-1-carboxamide

3-(dimethylamino)-N-[2-(1H-indol-5-yl)ethyl]piperidine-1-carboxamide (PubChem CID 136540342) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[2-(1H-indol-5-yl)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[2-(1H-indol-5-yl)ethyl]piperidine-1-carboxamide
PubChem CID136540342
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name3-(dimethylamino)-N-[2-(1H-indol-5-yl)ethyl]piperidine-1-carboxamide
SMILESCN(C)C1CCCN(C(=O)NCCc2ccc3[nH]ccc3c2)C1
InChIInChI=1S/C18H26N4O/c1-21(2)16-4-3-11-22(13-16)18(23)20-9-7-14-5-6-17-15(12-14)8-10-19-17/h5-6,8,10,12,16,19H,3-4,7,9,11,13H2,1-2H3,(H,20,23)
InChIKeyLESAHSGMSKASJG-UHFFFAOYSA-N
XLogP2.45
TPSA51.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(1H-indol-5-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 122013321
1-[2-(1H-indol-5-yl)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122013333
3-(1H-indol-5-yl)-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 75444249
(3R)-1-acetyl-3-hydroxy-N-[2-(1H-indol-5-yl)ethyl]piperidine-3-carboxamide
CID 129346826
1-[3-(1H-indol-5-yl)propanoyl]piperidine-3-carboxylic acid
CID 120512524
(3R)-3-(dimethylamino)-N-[2-(4-methoxyphenoxy)ethyl]piperidine-1-carboxamide
CID 95598534
N-[2-(4-fluorophenyl)ethyl]-3-methylpiperidine-1-carboxamide
CID 108902116
3-[(dimethylamino)methyl]-N-(2-naphthalen-2-ylethyl)pyrrolidine-1-carboxamide
CID 91661425
(3S)-3-[(dimethylamino)methyl]-N-(2-naphthalen-2-ylethyl)pyrrolidine-1-carboxamide
CID 99626273
3-[2-(1H-indol-5-yl)ethylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122013332
1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-(1H-indol-5-yl)propan-1-one
CID 110023702
2-(1H-indol-5-yl)-N-methylethanamine
CID 82374641

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[2-(1H-indol-5-yl)ethyl]piperidine-1-carboxamide?
The IUPAC name of 3-(dimethylamino)-N-[2-(1H-indol-5-yl)ethyl]piperidine-1-carboxamide (CID 136540342) is 3-(dimethylamino)-N-[2-(1H-indol-5-yl)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-(dimethylamino)-N-[2-(1H-indol-5-yl)ethyl]piperidine-1-carboxamide?
The canonical SMILES for 3-(dimethylamino)-N-[2-(1H-indol-5-yl)ethyl]piperidine-1-carboxamide is CN(C)C1CCCN(C(=O)NCCc2ccc3[nH]ccc3c2)C1.
What is the InChIKey of 3-(dimethylamino)-N-[2-(1H-indol-5-yl)ethyl]piperidine-1-carboxamide?
The InChIKey is LESAHSGMSKASJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-21(2)16-4-3-11-22(13-16)18(23)20-9-7-14-5-6-17-15(12-14)8-10-19-17/h5-6,8,10,12,16,19H,3-4,7,9,11,13H2,1-2H3,(H,20,23).
What are the key properties of 3-(dimethylamino)-N-[2-(1H-indol-5-yl)ethyl]piperidine-1-carboxamide?
3-(dimethylamino)-N-[2-(1H-indol-5-yl)ethyl]piperidine-1-carboxamide has a molecular weight of 314.43 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[2-(1H-indol-5-yl)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 136540342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).