tert-butyl N-[2-[(4-acetylpiperazine-1-carbonyl)amino]ethyl]carbamate

C14H26N4O4 — CID 108864367

IUPACtert-butyl N-[2-[(4-acetylpiperazine-1-carbonyl)amino]ethyl]carbamate
SMILESCC(=O)N1CCN(C(=O)NCCNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H26N4O4/c1-11(19)17-7-9-18(10-8-17)12(20)15-5-6-16-13(21)22-14(2,3)4/h5-10H2,1-4H3,(H,15,20)(H,16,21)
InChIKeyBNGWZXHIPKPSBW-UHFFFAOYSA-N
MW314.39 g/mol
LogP0.38
Rot. Bonds3

About tert-butyl N-[2-[(4-acetylpiperazine-1-carbonyl)amino]ethyl]carbamate

tert-butyl N-[2-[(4-acetylpiperazine-1-carbonyl)amino]ethyl]carbamate (PubChem CID 108864367) has the molecular formula C14H26N4O4 and a molecular weight of 314.39 g/mol. Its IUPAC name is tert-butyl N-[2-[(4-acetylpiperazine-1-carbonyl)amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(4-acetylpiperazine-1-carbonyl)amino]ethyl]carbamate
PubChem CID108864367
Molecular FormulaC14H26N4O4
Molecular Weight314.39 g/mol
Exact Mass314.20
IUPAC Nametert-butyl N-[2-[(4-acetylpiperazine-1-carbonyl)amino]ethyl]carbamate
SMILESCC(=O)N1CCN(C(=O)NCCNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H26N4O4/c1-11(19)17-7-9-18(10-8-17)12(20)15-5-6-16-13(21)22-14(2,3)4/h5-10H2,1-4H3,(H,15,20)(H,16,21)
InChIKeyBNGWZXHIPKPSBW-UHFFFAOYSA-N
XLogP0.38
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-(azepane-1-carbonylamino)ethyl]carbamate
CID 108864437
tert-butyl 4-(3-oxobutylcarbamoyl)piperazine-1-carboxylate
CID 108895304
tert-butyl N-[2-[[(3S)-1-acetylpiperidine-3-carbonyl]amino]ethyl]carbamate
CID 94813303
tert-butyl N-[2-[(1-acetylpiperidin-4-yl)methoxy]ethyl]carbamate
CID 176845406
tert-butyl N-[2-(azetidin-3-ylamino)ethyl]carbamate
CID 107241432
tert-butyl 4-(hexylcarbamoyl)piperazine-1-carboxylate
CID 46743121
tert-butyl N-[(1-acetylpyrrolidin-3-yl)methyl]carbamate
CID 86648179
tert-butyl N-[2-[[(2R)-2-methylpiperidine-1-carbonyl]amino]ethyl]carbamate
CID 95321341
tert-butyl N-(3,3-dihydroxypropyl)carbamate
CID 89159940
tert-butyl N-[2-[[(2R)-2-hydroxypropanoyl]amino]ethyl]carbamate
CID 134128297
tert-butyl N-[3-[4-(3-methylbut-2-enoyl)piperazin-1-yl]-3-oxopropyl]carbamate
CID 108918938
tert-butyl 4-[(3-ethoxy-3-oxopropyl)carbamoyl]piperazine-1-carboxylate
CID 127591993

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(4-acetylpiperazine-1-carbonyl)amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(4-acetylpiperazine-1-carbonyl)amino]ethyl]carbamate (CID 108864367) is tert-butyl N-[2-[(4-acetylpiperazine-1-carbonyl)amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(4-acetylpiperazine-1-carbonyl)amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(4-acetylpiperazine-1-carbonyl)amino]ethyl]carbamate is CC(=O)N1CCN(C(=O)NCCNC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[2-[(4-acetylpiperazine-1-carbonyl)amino]ethyl]carbamate?
The InChIKey is BNGWZXHIPKPSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O4/c1-11(19)17-7-9-18(10-8-17)12(20)15-5-6-16-13(21)22-14(2,3)4/h5-10H2,1-4H3,(H,15,20)(H,16,21).
What are the key properties of tert-butyl N-[2-[(4-acetylpiperazine-1-carbonyl)amino]ethyl]carbamate?
tert-butyl N-[2-[(4-acetylpiperazine-1-carbonyl)amino]ethyl]carbamate has a molecular weight of 314.39 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(4-acetylpiperazine-1-carbonyl)amino]ethyl]carbamate is sourced from PubChem (CID 108864367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).