1-ethyl-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]indole-2-carboxamide

C21H30N4O2 — CID 55959738

IUPAC1-ethyl-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]indole-2-carboxamide
SMILESCCCNC(=O)CN1CCC(NC(=O)c2cc3ccccc3n2CC)CC1
InChIInChI=1S/C21H30N4O2/c1-3-11-22-20(26)15-24-12-9-17(10-13-24)23-21(27)19-14-16-7-5-6-8-18(16)25(19)4-2/h5-8,14,17H,3-4,9-13,15H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyCIDFZAIEOHEVBE-UHFFFAOYSA-N
MW370.50 g/mol
LogP2.38
Rot. Bonds7

About 1-ethyl-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]indole-2-carboxamide

1-ethyl-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]indole-2-carboxamide (PubChem CID 55959738) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 1-ethyl-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]indole-2-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]indole-2-carboxamide
PubChem CID55959738
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Name1-ethyl-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]indole-2-carboxamide
SMILESCCCNC(=O)CN1CCC(NC(=O)c2cc3ccccc3n2CC)CC1
InChIInChI=1S/C21H30N4O2/c1-3-11-22-20(26)15-24-12-9-17(10-13-24)23-21(27)19-14-16-7-5-6-8-18(16)25(19)4-2/h5-8,14,17H,3-4,9-13,15H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyCIDFZAIEOHEVBE-UHFFFAOYSA-N
XLogP2.38
TPSA66.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide
CID 119946633
2-(4-phenylpiperidin-1-yl)-N-propylacetamide
CID 134001849
3-nitro-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide
CID 39146873
ethyl 4-[(1-benzylindole-2-carbonyl)amino]piperidine-1-carboxylate
CID 46491360
3-fluoro-4-methyl-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide
CID 39145303
5-methyl-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]imidazo[1,2-a]pyridine-2-carboxamide
CID 39147001
1-ethylindole-2-carbohydrazide
CID 166595239
1-ethyl-N-[2-(2-methoxyethylamino)-2-oxoethyl]indole-2-carboxamide
CID 60550859
2-[4-[[2-[cyclopropyl(methyl)amino]acetyl]amino]piperidin-1-yl]-N-propylacetamide
CID 60504083
5-fluoro-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-1H-indole-2-carboxamide
CID 39144539
3-(methanesulfonamido)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide
CID 39135117
2-[4-[[N'-methyl-N-(naphthalen-1-ylmethyl)carbamimidoyl]amino]piperidin-1-yl]-N-propylacetamide;hydroiodide
CID 111978071

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]indole-2-carboxamide?
The IUPAC name of 1-ethyl-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]indole-2-carboxamide (CID 55959738) is 1-ethyl-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]indole-2-carboxamide.
What is the SMILES notation for 1-ethyl-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]indole-2-carboxamide?
The canonical SMILES for 1-ethyl-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]indole-2-carboxamide is CCCNC(=O)CN1CCC(NC(=O)c2cc3ccccc3n2CC)CC1.
What is the InChIKey of 1-ethyl-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]indole-2-carboxamide?
The InChIKey is CIDFZAIEOHEVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-3-11-22-20(26)15-24-12-9-17(10-13-24)23-21(27)19-14-16-7-5-6-8-18(16)25(19)4-2/h5-8,14,17H,3-4,9-13,15H2,1-2H3,(H,22,26)(H,23,27).
What are the key properties of 1-ethyl-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]indole-2-carboxamide?
1-ethyl-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]indole-2-carboxamide has a molecular weight of 370.50 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]indole-2-carboxamide is sourced from PubChem (CID 55959738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).