N-ethyl-N-(piperidin-2-ylmethyl)-1H-indole-5-carboxamide

C17H23N3O — CID 106626088

IUPACN-ethyl-N-(piperidin-2-ylmethyl)-1H-indole-5-carboxamide
SMILESCCN(CC1CCCCN1)C(=O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C17H23N3O/c1-2-20(12-15-5-3-4-9-18-15)17(21)14-6-7-16-13(11-14)8-10-19-16/h6-8,10-11,15,18-19H,2-5,9,12H2,1H3
InChIKeyDLAVCTRMDMYLTI-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.77
Rot. Bonds4

About N-ethyl-N-(piperidin-2-ylmethyl)-1H-indole-5-carboxamide

N-ethyl-N-(piperidin-2-ylmethyl)-1H-indole-5-carboxamide (PubChem CID 106626088) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-ethyl-N-(piperidin-2-ylmethyl)-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(piperidin-2-ylmethyl)-1H-indole-5-carboxamide
PubChem CID106626088
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-ethyl-N-(piperidin-2-ylmethyl)-1H-indole-5-carboxamide
SMILESCCN(CC1CCCCN1)C(=O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C17H23N3O/c1-2-20(12-15-5-3-4-9-18-15)17(21)14-6-7-16-13(11-14)8-10-19-16/h6-8,10-11,15,18-19H,2-5,9,12H2,1H3
InChIKeyDLAVCTRMDMYLTI-UHFFFAOYSA-N
XLogP2.77
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-ethyl-3-methyl-N-(piperidin-2-ylmethyl)benzamide
CID 106626185
N-ethyl-4-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609417
N-ethyl-4-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609422
4-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609166
3-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609046
N-ethyl-N-(pyrrolidin-2-ylmethyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 106609254
4-tert-butyl-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609044
4-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609443
N-ethyl-5-methyl-N-(piperidin-2-ylmethyl)pyridine-3-carboxamide
CID 106626172
N-ethyl-N-(3-hydroxypropyl)-1H-indole-5-carboxamide
CID 115771732
N-ethyl-4-(1H-indol-5-yl)-N-[[(3R)-pyrrolidin-3-yl]methyl]benzamide
CID 71276788
3,4-dichloro-N-(piperidin-2-ylmethyl)-N-propylbenzamide
CID 106625495

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(piperidin-2-ylmethyl)-1H-indole-5-carboxamide?
The IUPAC name of N-ethyl-N-(piperidin-2-ylmethyl)-1H-indole-5-carboxamide (CID 106626088) is N-ethyl-N-(piperidin-2-ylmethyl)-1H-indole-5-carboxamide.
What is the SMILES notation for N-ethyl-N-(piperidin-2-ylmethyl)-1H-indole-5-carboxamide?
The canonical SMILES for N-ethyl-N-(piperidin-2-ylmethyl)-1H-indole-5-carboxamide is CCN(CC1CCCCN1)C(=O)c1ccc2[nH]ccc2c1.
What is the InChIKey of N-ethyl-N-(piperidin-2-ylmethyl)-1H-indole-5-carboxamide?
The InChIKey is DLAVCTRMDMYLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-2-20(12-15-5-3-4-9-18-15)17(21)14-6-7-16-13(11-14)8-10-19-16/h6-8,10-11,15,18-19H,2-5,9,12H2,1H3.
What are the key properties of N-ethyl-N-(piperidin-2-ylmethyl)-1H-indole-5-carboxamide?
N-ethyl-N-(piperidin-2-ylmethyl)-1H-indole-5-carboxamide has a molecular weight of 285.39 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(piperidin-2-ylmethyl)-1H-indole-5-carboxamide is sourced from PubChem (CID 106626088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).