N-ethyl-N-(piperidin-3-ylmethyl)-6,7-dihydro-1H-indole-2-carboxamide

C17H25N3O — CID 145297050

IUPACN-ethyl-N-(piperidin-3-ylmethyl)-6,7-dihydro-1H-indole-2-carboxamide
SMILESCCN(CC1CCCNC1)C(=O)c1cc2c([nH]1)CCC=C2
InChIInChI=1S/C17H25N3O/c1-2-20(12-13-6-5-9-18-11-13)17(21)16-10-14-7-3-4-8-15(14)19-16/h3,7,10,13,18-19H,2,4-6,8-9,11-12H2,1H3
InChIKeyJJXRTQJNOVHUAG-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.44
Rot. Bonds4

About N-ethyl-N-(piperidin-3-ylmethyl)-6,7-dihydro-1H-indole-2-carboxamide

N-ethyl-N-(piperidin-3-ylmethyl)-6,7-dihydro-1H-indole-2-carboxamide (PubChem CID 145297050) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-ethyl-N-(piperidin-3-ylmethyl)-6,7-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(piperidin-3-ylmethyl)-6,7-dihydro-1H-indole-2-carboxamide
PubChem CID145297050
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-ethyl-N-(piperidin-3-ylmethyl)-6,7-dihydro-1H-indole-2-carboxamide
SMILESCCN(CC1CCCNC1)C(=O)c1cc2c([nH]1)CCC=C2
InChIInChI=1S/C17H25N3O/c1-2-20(12-13-6-5-9-18-11-13)17(21)16-10-14-7-3-4-8-15(14)19-16/h3,7,10,13,18-19H,2,4-6,8-9,11-12H2,1H3
InChIKeyJJXRTQJNOVHUAG-UHFFFAOYSA-N
XLogP2.44
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-hydroxy-6-oxo-N-(piperidin-3-ylmethyl)-1H-pyridine-4-carboxamide
CID 106629345
N-ethyl-5-methyl-N-(piperidin-3-ylmethyl)furan-3-carboxamide
CID 106629294
4-chloro-N-ethyl-3-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 106629289
3-chloro-N-ethyl-4-fluoro-N-(piperidin-3-ylmethyl)benzamide
CID 106629287
N-ethyl-N-(piperidin-3-ylmethyl)propanamide
CID 106629408
N-ethyl-5-methyl-N-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 106629522
1,3-diethyl-1-(piperidin-3-ylmethyl)urea
CID 106629944
5-chloro-N-ethyl-N-(piperidin-3-ylmethyl)furan-2-carboxamide
CID 106629633
N-ethyl-2-methoxy-5-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 106629432
4-bromo-N-(piperidin-3-ylmethyl)-N-propyl-1H-pyrrole-2-carboxamide
CID 106628202
N,1-diethyl-N-(piperidin-3-ylmethyl)pyrrole-2-carboxamide
CID 106629268
3-chloro-N-ethyl-2-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 107098424

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(piperidin-3-ylmethyl)-6,7-dihydro-1H-indole-2-carboxamide?
The IUPAC name of N-ethyl-N-(piperidin-3-ylmethyl)-6,7-dihydro-1H-indole-2-carboxamide (CID 145297050) is N-ethyl-N-(piperidin-3-ylmethyl)-6,7-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-ethyl-N-(piperidin-3-ylmethyl)-6,7-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for N-ethyl-N-(piperidin-3-ylmethyl)-6,7-dihydro-1H-indole-2-carboxamide is CCN(CC1CCCNC1)C(=O)c1cc2c([nH]1)CCC=C2.
What is the InChIKey of N-ethyl-N-(piperidin-3-ylmethyl)-6,7-dihydro-1H-indole-2-carboxamide?
The InChIKey is JJXRTQJNOVHUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-2-20(12-13-6-5-9-18-11-13)17(21)16-10-14-7-3-4-8-15(14)19-16/h3,7,10,13,18-19H,2,4-6,8-9,11-12H2,1H3.
What are the key properties of N-ethyl-N-(piperidin-3-ylmethyl)-6,7-dihydro-1H-indole-2-carboxamide?
N-ethyl-N-(piperidin-3-ylmethyl)-6,7-dihydro-1H-indole-2-carboxamide has a molecular weight of 287.41 g/mol, XLogP of 2.44, 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-3-ylmethyl)-6,7-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 145297050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).