4-tert-butyl-N-[3-oxo-3-(2-piperidin-3-ylethylamino)propyl]benzamide

C21H33N3O2 — CID 119556823

IUPAC4-tert-butyl-N-[3-oxo-3-(2-piperidin-3-ylethylamino)propyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCCC(=O)NCCC2CCCNC2)cc1
InChIInChI=1S/C21H33N3O2/c1-21(2,3)18-8-6-17(7-9-18)20(26)24-14-11-19(25)23-13-10-16-5-4-12-22-15-16/h6-9,16,22H,4-5,10-15H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyJACQRJPHTBVQTR-UHFFFAOYSA-N
MW359.51 g/mol
LogP2.61
Rot. Bonds7

About 4-tert-butyl-N-[3-oxo-3-(2-piperidin-3-ylethylamino)propyl]benzamide

4-tert-butyl-N-[3-oxo-3-(2-piperidin-3-ylethylamino)propyl]benzamide (PubChem CID 119556823) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is 4-tert-butyl-N-[3-oxo-3-(2-piperidin-3-ylethylamino)propyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[3-oxo-3-(2-piperidin-3-ylethylamino)propyl]benzamide
PubChem CID119556823
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC Name4-tert-butyl-N-[3-oxo-3-(2-piperidin-3-ylethylamino)propyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCCC(=O)NCCC2CCCNC2)cc1
InChIInChI=1S/C21H33N3O2/c1-21(2,3)18-8-6-17(7-9-18)20(26)24-14-11-19(25)23-13-10-16-5-4-12-22-15-16/h6-9,16,22H,4-5,10-15H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyJACQRJPHTBVQTR-UHFFFAOYSA-N
XLogP2.61
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(2,2-dimethylpropyl)-1-N-(2-piperidin-3-ylethyl)benzene-1,4-dicarboxamide;hydrochloride
CID 119558369
4-tert-butyl-N-[3-oxo-3-(piperidin-3-ylamino)propyl]benzamide
CID 119426239
4-chloro-N-[4-oxo-4-(2-piperidin-3-ylethylamino)butyl]benzamide;hydrochloride
CID 119557355
4-iodo-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119554925
4-(tert-butylsulfamoyl)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119555746
4-methoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556793
N-(2-piperidin-3-ylethyl)-4-(trifluoromethylsulfanyl)benzamide
CID 119557493
5,5-dimethyl-N-(2-piperidin-3-ylethyl)hexanamide;hydrochloride
CID 119559479
N-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]benzamide;hydrochloride
CID 119557882
N-(2-piperidin-3-ylethyl)-4-(1H-pyrrole-3-carbonyl)benzamide;hydrochloride
CID 119559628
4-bromo-N-[3-(2-cyclohexylethylamino)-3-oxopropyl]benzamide
CID 46400985
3-fluoro-4-methyl-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556963

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[3-oxo-3-(2-piperidin-3-ylethylamino)propyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[3-oxo-3-(2-piperidin-3-ylethylamino)propyl]benzamide (CID 119556823) is 4-tert-butyl-N-[3-oxo-3-(2-piperidin-3-ylethylamino)propyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[3-oxo-3-(2-piperidin-3-ylethylamino)propyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[3-oxo-3-(2-piperidin-3-ylethylamino)propyl]benzamide is CC(C)(C)c1ccc(C(=O)NCCC(=O)NCCC2CCCNC2)cc1.
What is the InChIKey of 4-tert-butyl-N-[3-oxo-3-(2-piperidin-3-ylethylamino)propyl]benzamide?
The InChIKey is JACQRJPHTBVQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O2/c1-21(2,3)18-8-6-17(7-9-18)20(26)24-14-11-19(25)23-13-10-16-5-4-12-22-15-16/h6-9,16,22H,4-5,10-15H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of 4-tert-butyl-N-[3-oxo-3-(2-piperidin-3-ylethylamino)propyl]benzamide?
4-tert-butyl-N-[3-oxo-3-(2-piperidin-3-ylethylamino)propyl]benzamide has a molecular weight of 359.51 g/mol, XLogP of 2.61, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[3-oxo-3-(2-piperidin-3-ylethylamino)propyl]benzamide is sourced from PubChem (CID 119556823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).