tert-butyl N-ethyl-N-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethyl]carbamate

C20H37N3O3 — CID 69143161

IUPACtert-butyl N-ethyl-N-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethyl]carbamate
SMILESCCN(CC(=O)N1CCC(C2CCN(C)CC2)CC1)C(=O)OC(C)(C)C
InChIInChI=1S/C20H37N3O3/c1-6-22(19(25)26-20(2,3)4)15-18(24)23-13-9-17(10-14-23)16-7-11-21(5)12-8-16/h16-17H,6-15H2,1-5H3
InChIKeyQEKWAMXQSQNWNT-UHFFFAOYSA-N
MW367.53 g/mol
LogP2.82
Rot. Bonds4

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

tert-butyl N-ethyl-N-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethyl]carbamate (PubChem CID 69143161) has the molecular formula C20H37N3O3 and a molecular weight of 367.53 g/mol. Its IUPAC name is tert-butyl N-ethyl-N-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-ethyl-N-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethyl]carbamate
PubChem CID69143161
Molecular FormulaC20H37N3O3
Molecular Weight367.53 g/mol
Exact Mass367.28
IUPAC Nametert-butyl N-ethyl-N-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethyl]carbamate
SMILESCCN(CC(=O)N1CCC(C2CCN(C)CC2)CC1)C(=O)OC(C)(C)C
InChIInChI=1S/C20H37N3O3/c1-6-22(19(25)26-20(2,3)4)15-18(24)23-13-9-17(10-14-23)16-7-11-21(5)12-8-16/h16-17H,6-15H2,1-5H3
InChIKeyQEKWAMXQSQNWNT-UHFFFAOYSA-N
XLogP2.82
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.53
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-ethyl-N-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-ethyl-N-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethyl]carbamate (CID 69143161) is tert-butyl N-ethyl-N-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-ethyl-N-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-ethyl-N-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethyl]carbamate is CCN(CC(=O)N1CCC(C2CCN(C)CC2)CC1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-ethyl-N-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethyl]carbamate?
The InChIKey is QEKWAMXQSQNWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N3O3/c1-6-22(19(25)26-20(2,3)4)15-18(24)23-13-9-17(10-14-23)16-7-11-21(5)12-8-16/h16-17H,6-15H2,1-5H3.
What are the key properties of tert-butyl N-ethyl-N-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethyl]carbamate?
tert-butyl N-ethyl-N-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethyl]carbamate has a molecular weight of 367.53 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-ethyl-N-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethyl]carbamate is sourced from PubChem (CID 69143161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).