tert-butyl N-[3-(4-acetylpiperazin-1-yl)-2-hydroxypropyl]carbamate

C14H27N3O4 — CID 118499077

IUPACtert-butyl N-[3-(4-acetylpiperazin-1-yl)-2-hydroxypropyl]carbamate
SMILESCC(=O)N1CCN(CC(O)CNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H27N3O4/c1-11(18)17-7-5-16(6-8-17)10-12(19)9-15-13(20)21-14(2,3)4/h12,19H,5-10H2,1-4H3,(H,15,20)
InChIKeyFDYIQXGINXBONF-UHFFFAOYSA-N
MW301.39 g/mol
LogP0.04
Rot. Bonds4

About tert-butyl N-[3-(4-acetylpiperazin-1-yl)-2-hydroxypropyl]carbamate

tert-butyl N-[3-(4-acetylpiperazin-1-yl)-2-hydroxypropyl]carbamate (PubChem CID 118499077) has the molecular formula C14H27N3O4 and a molecular weight of 301.39 g/mol. Its IUPAC name is tert-butyl N-[3-(4-acetylpiperazin-1-yl)-2-hydroxypropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(4-acetylpiperazin-1-yl)-2-hydroxypropyl]carbamate
PubChem CID118499077
Molecular FormulaC14H27N3O4
Molecular Weight301.39 g/mol
Exact Mass301.20
IUPAC Nametert-butyl N-[3-(4-acetylpiperazin-1-yl)-2-hydroxypropyl]carbamate
SMILESCC(=O)N1CCN(CC(O)CNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H27N3O4/c1-11(18)17-7-5-16(6-8-17)10-12(19)9-15-13(20)21-14(2,3)4/h12,19H,5-10H2,1-4H3,(H,15,20)
InChIKeyFDYIQXGINXBONF-UHFFFAOYSA-N
XLogP0.04
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-{3-[(tert-butoxycarbonyl)amino]-2-hydroxypropyl}carbamate
CID 375632
(+-)-1-Amino-3-n-(4'-boc-piperazinyl)-2-propanol
CID 2756369
tert-butyl N-(2-((2-hydroxyethyl)(methyl)amino)ethyl)carbamate
CID 15933188
tert-butyl N-{[(2-hydroxyethyl)carbamoyl]methyl}carbamate
CID 122697870
tert-butyl N-[3-[2-hydroxypropyl(methyl)amino]-3-oxopropyl]carbamate
CID 75424153
4-(3-Amino-2-hydroxypropyl)-1-piperazinecarboxylic acid 1,1-dimethylethyl ester hydrochloride (1:1)
CID 44630799
tert-butyl N-{2-[(2-hydroxypropyl)amino]ethyl}carbamate
CID 115606757
tert-Butyl (2R)-2-(aminomethyl)morpholine-4-carboxylate acetate
CID 122173513
tert-butyl N-{4-[4-(2-hydroxyethyl)piperazin-1-yl]butyl}carbamate
CID 165700095
tert-Butyl (S)-3-(hydroxymethyl)-5-oxopiperazine-1-carboxylate
CID 15484274
tert-Butyl (2-((tert-butoxycarbonyl)amino)ethyl)(2-hydroxyethyl)carbamate
CID 22741532
tert-butyl N-(2-aminoethyl)-N-(2-hydroxypropyl)carbamate
CID 75480655

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(4-acetylpiperazin-1-yl)-2-hydroxypropyl]carbamate?
The IUPAC name of tert-butyl N-[3-(4-acetylpiperazin-1-yl)-2-hydroxypropyl]carbamate (CID 118499077) is tert-butyl N-[3-(4-acetylpiperazin-1-yl)-2-hydroxypropyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(4-acetylpiperazin-1-yl)-2-hydroxypropyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(4-acetylpiperazin-1-yl)-2-hydroxypropyl]carbamate is CC(=O)N1CCN(CC(O)CNC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[3-(4-acetylpiperazin-1-yl)-2-hydroxypropyl]carbamate?
The InChIKey is FDYIQXGINXBONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O4/c1-11(18)17-7-5-16(6-8-17)10-12(19)9-15-13(20)21-14(2,3)4/h12,19H,5-10H2,1-4H3,(H,15,20).
What are the key properties of tert-butyl N-[3-(4-acetylpiperazin-1-yl)-2-hydroxypropyl]carbamate?
tert-butyl N-[3-(4-acetylpiperazin-1-yl)-2-hydroxypropyl]carbamate has a molecular weight of 301.39 g/mol, XLogP of 0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(4-acetylpiperazin-1-yl)-2-hydroxypropyl]carbamate is sourced from PubChem (CID 118499077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).