tert-butyl N-[1-[4-(4-acetylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]carbamate

C20H29N3O4 — CID 55560389

IUPACtert-butyl N-[1-[4-(4-acetylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]carbamate
SMILESCC(=O)c1ccc(N2CCN(C(=O)C(C)NC(=O)OC(C)(C)C)CC2)cc1
InChIInChI=1S/C20H29N3O4/c1-14(21-19(26)27-20(3,4)5)18(25)23-12-10-22(11-13-23)17-8-6-16(7-9-17)15(2)24/h6-9,14H,10-13H2,1-5H3,(H,21,26)
InChIKeyAQXHTDNEGBRORF-UHFFFAOYSA-N
MW375.47 g/mol
LogP2.45
Rot. Bonds4

About tert-butyl N-[1-[4-(4-acetylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]carbamate

tert-butyl N-[1-[4-(4-acetylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]carbamate (PubChem CID 55560389) has the molecular formula C20H29N3O4 and a molecular weight of 375.47 g/mol. Its IUPAC name is tert-butyl N-[1-[4-(4-acetylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[4-(4-acetylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]carbamate
PubChem CID55560389
Molecular FormulaC20H29N3O4
Molecular Weight375.47 g/mol
Exact Mass375.22
IUPAC Nametert-butyl N-[1-[4-(4-acetylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]carbamate
SMILESCC(=O)c1ccc(N2CCN(C(=O)C(C)NC(=O)OC(C)(C)C)CC2)cc1
InChIInChI=1S/C20H29N3O4/c1-14(21-19(26)27-20(3,4)5)18(25)23-12-10-22(11-13-23)17-8-6-16(7-9-17)15(2)24/h6-9,14H,10-13H2,1-5H3,(H,21,26)
InChIKeyAQXHTDNEGBRORF-UHFFFAOYSA-N
XLogP2.45
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-(4-acetylphenyl)piperazine-1-carboxylate
CID 21136190
N-[1-[4-(4-acetylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide
CID 42908363
tert-butyl 4-[2-[(4-phenylpiperazine-1-carbonyl)amino]propanoyl]piperazine-1-carboxylate
CID 53367705
tert-butyl N-[1-(azepan-1-yl)-1-oxopropan-2-yl]carbamate
CID 24689322
tert-butyl N-[1-[4-(4-methylbenzoyl)piperidin-1-yl]-1-oxopropan-2-yl]carbamate
CID 55956466
tert-butyl N-[(2R)-1-oxo-1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-yl]carbamate
CID 171493245
tert-butyl N-[1-[4,7-bis(7-chloroquinolin-4-yl)-1,4,7-triazonan-1-yl]-1-oxopropan-2-yl]carbamate
CID 10508159
N-[(2S)-1-[4-(4-acetylphenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 7774591
tert-butyl N-[(2R)-1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]carbamate
CID 52563079
N-[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzamide
CID 2558168
tert-butyl 4-[4-[2-(methylamino)propanoyl]phenyl]-1,4-diazepane-1-carboxylate
CID 83971817
1-[4-(4-acetylphenyl)piperazin-1-yl]-2-aminobutan-1-one
CID 61252307

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[4-(4-acetylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[4-(4-acetylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]carbamate (CID 55560389) is tert-butyl N-[1-[4-(4-acetylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[4-(4-acetylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[4-(4-acetylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]carbamate is CC(=O)c1ccc(N2CCN(C(=O)C(C)NC(=O)OC(C)(C)C)CC2)cc1.
What is the InChIKey of tert-butyl N-[1-[4-(4-acetylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]carbamate?
The InChIKey is AQXHTDNEGBRORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4/c1-14(21-19(26)27-20(3,4)5)18(25)23-12-10-22(11-13-23)17-8-6-16(7-9-17)15(2)24/h6-9,14H,10-13H2,1-5H3,(H,21,26).
What are the key properties of tert-butyl N-[1-[4-(4-acetylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]carbamate?
tert-butyl N-[1-[4-(4-acetylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]carbamate has a molecular weight of 375.47 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[4-(4-acetylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 55560389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).