4-tert-butyl-N-[(2S)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]benzamide

C23H29N3O4 — CID 38911698

IUPAC4-tert-butyl-N-[(2S)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]benzamide
SMILESC[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C23H29N3O4/c1-16(24-20(27)17-7-9-18(10-8-17)23(2,3)4)21(28)25-11-13-26(14-12-25)22(29)19-6-5-15-30-19/h5-10,15-16H,11-14H2,1-4H3,(H,24,27)/t16-/m0/s1
InChIKeyCSWUIJYJOCHSQL-INIZCTEOSA-N
MW411.50 g/mol
LogP2.68
Rot. Bonds4

About 4-tert-butyl-N-[(2S)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]benzamide

4-tert-butyl-N-[(2S)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]benzamide (PubChem CID 38911698) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is 4-tert-butyl-N-[(2S)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[(2S)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]benzamide
PubChem CID38911698
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC Name4-tert-butyl-N-[(2S)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]benzamide
SMILESC[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C23H29N3O4/c1-16(24-20(27)17-7-9-18(10-8-17)23(2,3)4)21(28)25-11-13-26(14-12-25)22(29)19-6-5-15-30-19/h5-10,15-16H,11-14H2,1-4H3,(H,24,27)/t16-/m0/s1
InChIKeyCSWUIJYJOCHSQL-INIZCTEOSA-N
XLogP2.68
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-1-oxo-1-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]propan-2-yl]furan-2-carboxamide
CID 51954176
N-[1-[4-(3-fluorobenzoyl)piperazin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide
CID 86926583
N-[1-[4-(4-acetylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide
CID 42908363
N-(4-tert-butylphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide
CID 108529847
1-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 110796817
4-tert-butyl-N-[1-oxo-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-2-yl]benzamide
CID 134035755
4-tert-butyl-N-[1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide
CID 55545517
N-[1-oxo-1-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]propan-2-yl]benzamide
CID 55586100
N-[(1S)-1-(benzenesulfonyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-4-methylbenzamide
CID 51858051
4-tert-butyl-N-[[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide
CID 1397200
4-tert-butyl-N-[(2S)-1-[2-(furan-2-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 9366689
2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 51305621

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(2S)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]benzamide?
The IUPAC name of 4-tert-butyl-N-[(2S)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]benzamide (CID 38911698) is 4-tert-butyl-N-[(2S)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[(2S)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[(2S)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]benzamide is C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 4-tert-butyl-N-[(2S)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]benzamide?
The InChIKey is CSWUIJYJOCHSQL-INIZCTEOSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-16(24-20(27)17-7-9-18(10-8-17)23(2,3)4)21(28)25-11-13-26(14-12-25)22(29)19-6-5-15-30-19/h5-10,15-16H,11-14H2,1-4H3,(H,24,27)/t16-/m0/s1.
What are the key properties of 4-tert-butyl-N-[(2S)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]benzamide?
4-tert-butyl-N-[(2S)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]benzamide has a molecular weight of 411.50 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(2S)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 38911698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).