tert-butyl N-piperidin-4-yl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]carbamate

C19H38N4O2 — CID 140939067

IUPACtert-butyl N-piperidin-4-yl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]carbamate
SMILESCC(C)N1CCN(CCN(C(=O)OC(C)(C)C)C2CCNCC2)CC1
InChIInChI=1S/C19H38N4O2/c1-16(2)22-13-10-21(11-14-22)12-15-23(17-6-8-20-9-7-17)18(24)25-19(3,4)5/h16-17,20H,6-15H2,1-5H3
InChIKeyYQWYRMWVZHJDTJ-UHFFFAOYSA-N
MW354.54 g/mol
LogP2.00
Rot. Bonds5

About tert-butyl N-piperidin-4-yl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]carbamate

tert-butyl N-piperidin-4-yl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]carbamate (PubChem CID 140939067) has the molecular formula C19H38N4O2 and a molecular weight of 354.54 g/mol. Its IUPAC name is tert-butyl N-piperidin-4-yl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-piperidin-4-yl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]carbamate
PubChem CID140939067
Molecular FormulaC19H38N4O2
Molecular Weight354.54 g/mol
Exact Mass354.30
IUPAC Nametert-butyl N-piperidin-4-yl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]carbamate
SMILESCC(C)N1CCN(CCN(C(=O)OC(C)(C)C)C2CCNCC2)CC1
InChIInChI=1S/C19H38N4O2/c1-16(2)22-13-10-21(11-14-22)12-15-23(17-6-8-20-9-7-17)18(24)25-19(3,4)5/h16-17,20H,6-15H2,1-5H3
InChIKeyYQWYRMWVZHJDTJ-UHFFFAOYSA-N
XLogP2.00
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.54
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-piperidin-4-yl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-piperidin-4-yl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]carbamate (CID 140939067) is tert-butyl N-piperidin-4-yl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-piperidin-4-yl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-piperidin-4-yl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]carbamate is CC(C)N1CCN(CCN(C(=O)OC(C)(C)C)C2CCNCC2)CC1.
What is the InChIKey of tert-butyl N-piperidin-4-yl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]carbamate?
The InChIKey is YQWYRMWVZHJDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N4O2/c1-16(2)22-13-10-21(11-14-22)12-15-23(17-6-8-20-9-7-17)18(24)25-19(3,4)5/h16-17,20H,6-15H2,1-5H3.
What are the key properties of tert-butyl N-piperidin-4-yl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]carbamate?
tert-butyl N-piperidin-4-yl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]carbamate has a molecular weight of 354.54 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-piperidin-4-yl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]carbamate is sourced from PubChem (CID 140939067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).