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

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Related Compounds

(6S)-1-[[1-(2-ethylbutyl)piperidin-4-yl]methyl]-6-(2-methylpropyl)piperazine-2,3-dione
CID 51359787
Tert-butyl 3-oxo-4-(piperidin-3-yl)piperazine-1-carboxylate
CID 75458691
Tert-butyl 4-(2-(piperazin-1-yl)ethyl)piperidine-1-carboxylate
CID 19602955
Tert-butyl 3-oxo-4-(piperidin-4-yl)piperazine-1-carboxylate
CID 23138143
tert-butyl N-(2-(4-aminopiperidin-1-yl)-2-oxoethyl)carbamate
CID 50986488
tert-Butyl 2-oxo-1,4,9-triazaspiro[5.5]undecane-9-carboxylate
CID 118798342
Tert-butyl 4-(2-(piperidin-4-yl)ethyl)piperazine-1-carboxylate
CID 134441029
Tert-butyl 4-(3-(piperidin-4-yl)propyl)piperazine-1-carboxylate
CID 165655223
Tert-butyl 4-(3-(piperazin-1-yl)propyl)piperidine-1-carboxylate
CID 165881318
tert-butyl (2S)-2-butan-2-yl-3-oxopiperazine-1-carboxylate
CID 44350328
(6S)-6-[(2S)-butan-2-yl]-1-[[1-(2-ethylbutyl)piperidin-4-yl]methyl]piperazine-2,3-dione
CID 45281037
(6S)-1-[[1-(3-methylbutyl)piperidin-4-yl]methyl]-6-(2-methylpropyl)piperazine-2,3-dione
CID 51359788

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).