tert-butyl N-[2-oxo-2-[4-(1-piperidin-4-ylethyl)piperazin-1-yl]ethyl]carbamate

C18H34N4O3 — CID 66987888

IUPACtert-butyl N-[2-oxo-2-[4-(1-piperidin-4-ylethyl)piperazin-1-yl]ethyl]carbamate
SMILESCC(C1CCNCC1)N1CCN(C(=O)CNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H34N4O3/c1-14(15-5-7-19-8-6-15)21-9-11-22(12-10-21)16(23)13-20-17(24)25-18(2,3)4/h14-15,19H,5-13H2,1-4H3,(H,20,24)
InChIKeyAKXAFKJOSGFOAY-UHFFFAOYSA-N
MW354.50 g/mol
LogP1.04
Rot. Bonds4

About tert-butyl N-[2-oxo-2-[4-(1-piperidin-4-ylethyl)piperazin-1-yl]ethyl]carbamate

tert-butyl N-[2-oxo-2-[4-(1-piperidin-4-ylethyl)piperazin-1-yl]ethyl]carbamate (PubChem CID 66987888) has the molecular formula C18H34N4O3 and a molecular weight of 354.50 g/mol. Its IUPAC name is tert-butyl N-[2-oxo-2-[4-(1-piperidin-4-ylethyl)piperazin-1-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-oxo-2-[4-(1-piperidin-4-ylethyl)piperazin-1-yl]ethyl]carbamate
PubChem CID66987888
Molecular FormulaC18H34N4O3
Molecular Weight354.50 g/mol
Exact Mass354.26
IUPAC Nametert-butyl N-[2-oxo-2-[4-(1-piperidin-4-ylethyl)piperazin-1-yl]ethyl]carbamate
SMILESCC(C1CCNCC1)N1CCN(C(=O)CNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H34N4O3/c1-14(15-5-7-19-8-6-15)21-9-11-22(12-10-21)16(23)13-20-17(24)25-18(2,3)4/h14-15,19H,5-13H2,1-4H3,(H,20,24)
InChIKeyAKXAFKJOSGFOAY-UHFFFAOYSA-N
XLogP1.04
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[2-oxo-2-[4-(1-piperidin-4-ylethyl)piperazin-1-yl]ethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-oxo-2-[4-(1-piperidin-4-ylethyl)piperazin-1-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-oxo-2-[4-(1-piperidin-4-ylethyl)piperazin-1-yl]ethyl]carbamate (CID 66987888) is tert-butyl N-[2-oxo-2-[4-(1-piperidin-4-ylethyl)piperazin-1-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-oxo-2-[4-(1-piperidin-4-ylethyl)piperazin-1-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-oxo-2-[4-(1-piperidin-4-ylethyl)piperazin-1-yl]ethyl]carbamate is CC(C1CCNCC1)N1CCN(C(=O)CNC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[2-oxo-2-[4-(1-piperidin-4-ylethyl)piperazin-1-yl]ethyl]carbamate?
The InChIKey is AKXAFKJOSGFOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O3/c1-14(15-5-7-19-8-6-15)21-9-11-22(12-10-21)16(23)13-20-17(24)25-18(2,3)4/h14-15,19H,5-13H2,1-4H3,(H,20,24).
What are the key properties of tert-butyl N-[2-oxo-2-[4-(1-piperidin-4-ylethyl)piperazin-1-yl]ethyl]carbamate?
tert-butyl N-[2-oxo-2-[4-(1-piperidin-4-ylethyl)piperazin-1-yl]ethyl]carbamate has a molecular weight of 354.50 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-oxo-2-[4-(1-piperidin-4-ylethyl)piperazin-1-yl]ethyl]carbamate is sourced from PubChem (CID 66987888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).