[2-(methylamino)-2-oxoethyl] N-[2-[1-(6-cyclopropyl-2-pyridinyl)piperidin-4-yl]ethyl]carbamate

C19H28N4O3 — CID 68574272

IUPAC[2-(methylamino)-2-oxoethyl] N-[2-[1-(6-cyclopropyl-2-pyridinyl)piperidin-4-yl]ethyl]carbamate
SMILESCNC(=O)COC(=O)NCCC1CCN(c2cccc(C3CC3)n2)CC1
InChIInChI=1S/C19H28N4O3/c1-20-18(24)13-26-19(25)21-10-7-14-8-11-23(12-9-14)17-4-2-3-16(22-17)15-5-6-15/h2-4,14-15H,5-13H2,1H3,(H,20,24)(H,21,25)
InChIKeyABKCBWHMHWNEOC-UHFFFAOYSA-N
MW360.46 g/mol
LogP2.04
Rot. Bonds7

About [2-(methylamino)-2-oxoethyl] N-[2-[1-(6-cyclopropyl-2-pyridinyl)piperidin-4-yl]ethyl]carbamate

[2-(methylamino)-2-oxoethyl] N-[2-[1-(6-cyclopropyl-2-pyridinyl)piperidin-4-yl]ethyl]carbamate (PubChem CID 68574272) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is [2-(methylamino)-2-oxoethyl] N-[2-[1-(6-cyclopropyl-2-pyridinyl)piperidin-4-yl]ethyl]carbamate.

Molecular Properties

Compound Name[2-(methylamino)-2-oxoethyl] N-[2-[1-(6-cyclopropyl-2-pyridinyl)piperidin-4-yl]ethyl]carbamate
PubChem CID68574272
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Name[2-(methylamino)-2-oxoethyl] N-[2-[1-(6-cyclopropyl-2-pyridinyl)piperidin-4-yl]ethyl]carbamate
SMILESCNC(=O)COC(=O)NCCC1CCN(c2cccc(C3CC3)n2)CC1
InChIInChI=1S/C19H28N4O3/c1-20-18(24)13-26-19(25)21-10-7-14-8-11-23(12-9-14)17-4-2-3-16(22-17)15-5-6-15/h2-4,14-15H,5-13H2,1H3,(H,20,24)(H,21,25)
InChIKeyABKCBWHMHWNEOC-UHFFFAOYSA-N
XLogP2.04
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-2-oxoethyl] N-[2-[1-(6-cyclopropyl-2-pyridinyl)piperidin-4-yl]ethyl]carbamate?
The IUPAC name of [2-(methylamino)-2-oxoethyl] N-[2-[1-(6-cyclopropyl-2-pyridinyl)piperidin-4-yl]ethyl]carbamate (CID 68574272) is [2-(methylamino)-2-oxoethyl] N-[2-[1-(6-cyclopropyl-2-pyridinyl)piperidin-4-yl]ethyl]carbamate.
What is the SMILES notation for [2-(methylamino)-2-oxoethyl] N-[2-[1-(6-cyclopropyl-2-pyridinyl)piperidin-4-yl]ethyl]carbamate?
The canonical SMILES for [2-(methylamino)-2-oxoethyl] N-[2-[1-(6-cyclopropyl-2-pyridinyl)piperidin-4-yl]ethyl]carbamate is CNC(=O)COC(=O)NCCC1CCN(c2cccc(C3CC3)n2)CC1.
What is the InChIKey of [2-(methylamino)-2-oxoethyl] N-[2-[1-(6-cyclopropyl-2-pyridinyl)piperidin-4-yl]ethyl]carbamate?
The InChIKey is ABKCBWHMHWNEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-20-18(24)13-26-19(25)21-10-7-14-8-11-23(12-9-14)17-4-2-3-16(22-17)15-5-6-15/h2-4,14-15H,5-13H2,1H3,(H,20,24)(H,21,25).
What are the key properties of [2-(methylamino)-2-oxoethyl] N-[2-[1-(6-cyclopropyl-2-pyridinyl)piperidin-4-yl]ethyl]carbamate?
[2-(methylamino)-2-oxoethyl] N-[2-[1-(6-cyclopropyl-2-pyridinyl)piperidin-4-yl]ethyl]carbamate has a molecular weight of 360.46 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-2-oxoethyl] N-[2-[1-(6-cyclopropyl-2-pyridinyl)piperidin-4-yl]ethyl]carbamate is sourced from PubChem (CID 68574272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).