4-tert-butyl-N-[1-oxo-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-2-yl]benzamide

C24H32N4O2 — CID 134035755

IUPAC4-tert-butyl-N-[1-oxo-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-2-yl]benzamide
SMILESCC(NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C24H32N4O2/c1-18(26-22(29)20-7-9-21(10-8-20)24(2,3)4)23(30)28-14-12-27(13-15-28)17-19-6-5-11-25-16-19/h5-11,16,18H,12-15,17H2,1-4H3,(H,26,29)
InChIKeyCACVUUVVSTZYIS-UHFFFAOYSA-N
MW408.55 g/mol
LogP2.84
Rot. Bonds5

About 4-tert-butyl-N-[1-oxo-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-2-yl]benzamide

4-tert-butyl-N-[1-oxo-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-2-yl]benzamide (PubChem CID 134035755) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is 4-tert-butyl-N-[1-oxo-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-2-yl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[1-oxo-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-2-yl]benzamide
PubChem CID134035755
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC Name4-tert-butyl-N-[1-oxo-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-2-yl]benzamide
SMILESCC(NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C24H32N4O2/c1-18(26-22(29)20-7-9-21(10-8-20)24(2,3)4)23(30)28-14-12-27(13-15-28)17-19-6-5-11-25-16-19/h5-11,16,18H,12-15,17H2,1-4H3,(H,26,29)
InChIKeyCACVUUVVSTZYIS-UHFFFAOYSA-N
XLogP2.84
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-oxo-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-2-yl]furan-2-carboxamide
CID 134045047
2-methyl-3-oxo-3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propanoic acid
CID 114897633
(4-propan-2-ylphenyl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 110709119
4-tert-butyl-N-[(2S)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]benzamide
CID 38911698
4-bromo-N-[2-oxo-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]benzamide
CID 112807670
N-(2-methylpropyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 47238319
4-tert-butyl-N-[1-oxo-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-yl]benzamide
CID 6067733
methyl 4-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]benzoate
CID 19572760
N-[(2S)-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide
CID 31279747
3-cyclopentyl-2-methyl-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one
CID 136525753
N-(4-hydroxy-2,2-dimethylpentyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 111507374
4-tert-butyl-N-[(2S)-1-oxo-1-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]propan-2-yl]benzamide
CID 55936584

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[1-oxo-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-2-yl]benzamide?
The IUPAC name of 4-tert-butyl-N-[1-oxo-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-2-yl]benzamide (CID 134035755) is 4-tert-butyl-N-[1-oxo-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-2-yl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[1-oxo-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-2-yl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[1-oxo-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-2-yl]benzamide is CC(NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CCN(Cc2cccnc2)CC1.
What is the InChIKey of 4-tert-butyl-N-[1-oxo-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-2-yl]benzamide?
The InChIKey is CACVUUVVSTZYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2/c1-18(26-22(29)20-7-9-21(10-8-20)24(2,3)4)23(30)28-14-12-27(13-15-28)17-19-6-5-11-25-16-19/h5-11,16,18H,12-15,17H2,1-4H3,(H,26,29).
What are the key properties of 4-tert-butyl-N-[1-oxo-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-2-yl]benzamide?
4-tert-butyl-N-[1-oxo-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-2-yl]benzamide has a molecular weight of 408.55 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[1-oxo-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-2-yl]benzamide is sourced from PubChem (CID 134035755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).