[2-(methylamino)-2-oxoethyl] N-[2-[1-[5-(2-methylpropyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate

C20H32N4O3 — CID 123852280

IUPAC[2-(methylamino)-2-oxoethyl] N-[2-[1-[5-(2-methylpropyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate
SMILESCNC(=O)COC(=O)NCCC1CCN(c2ccc(CC(C)C)cn2)CC1
InChIInChI=1S/C20H32N4O3/c1-15(2)12-17-4-5-18(23-13-17)24-10-7-16(8-11-24)6-9-22-20(26)27-14-19(25)21-3/h4-5,13,15-16H,6-12,14H2,1-3H3,(H,21,25)(H,22,26)
InChIKeyNAVOLXRXUZLGMJ-UHFFFAOYSA-N
MW376.50 g/mol
LogP2.36
Rot. Bonds8

About [2-(methylamino)-2-oxoethyl] N-[2-[1-[5-(2-methylpropyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate

[2-(methylamino)-2-oxoethyl] N-[2-[1-[5-(2-methylpropyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate (PubChem CID 123852280) has the molecular formula C20H32N4O3 and a molecular weight of 376.50 g/mol. Its IUPAC name is [2-(methylamino)-2-oxoethyl] N-[2-[1-[5-(2-methylpropyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate.

Molecular Properties

Compound Name[2-(methylamino)-2-oxoethyl] N-[2-[1-[5-(2-methylpropyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate
PubChem CID123852280
Molecular FormulaC20H32N4O3
Molecular Weight376.50 g/mol
Exact Mass376.25
IUPAC Name[2-(methylamino)-2-oxoethyl] N-[2-[1-[5-(2-methylpropyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate
SMILESCNC(=O)COC(=O)NCCC1CCN(c2ccc(CC(C)C)cn2)CC1
InChIInChI=1S/C20H32N4O3/c1-15(2)12-17-4-5-18(23-13-17)24-10-7-16(8-11-24)6-9-22-20(26)27-14-19(25)21-3/h4-5,13,15-16H,6-12,14H2,1-3H3,(H,21,25)(H,22,26)
InChIKeyNAVOLXRXUZLGMJ-UHFFFAOYSA-N
XLogP2.36
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-(methylamino)-2-oxoethyl] N-[2-[1-[5-(2-methylpropyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate with MolForge

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Related Compounds

[2-(methylamino)-2-oxoethyl]-[2-[1-[5-(2-methylpropyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamic acid
CID 67136090
[2-(methylamino)-2-oxoethyl] N-[2-[1-(6-cyclopropyl-2-pyridinyl)piperidin-4-yl]ethyl]carbamate
CID 68574272
(2-amino-2-oxoethyl) N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate
CID 68574069
2-[1-[5-[1-(2-methylpropyl)pyrazol-4-yl]-2-pyridinyl]piperidin-4-yl]ethylcarbamic acid
CID 67134387
5-(2-methylpropyl)-2-pyrrolidin-1-ylpyridine
CID 59000961
(2-amino-2-oxoethyl) N-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]carbamate
CID 68574049
[6-(4-propylpiperidin-1-yl)-3-pyridinyl]methanol
CID 62205775
[2-(methylamino)-2-oxoethyl] 4-(1-isoquinolin-3-ylpiperidin-4-yl)butanoate
CID 58032707
ethyl 1-[5-(2-aminopropyl)-2-pyridinyl]piperidine-4-carboxylate
CID 170891147
(2-amino-2-oxoethyl) N-[[1-(5-chloro-2-pyridinyl)piperidin-4-yl]methyl]carbamate
CID 68573821
1,3-thiazol-4-ylmethyl N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate
CID 44623659
(2-amino-2-oxoethyl) N-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]carbamate
CID 68573795

Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-2-oxoethyl] N-[2-[1-[5-(2-methylpropyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate?
The IUPAC name of [2-(methylamino)-2-oxoethyl] N-[2-[1-[5-(2-methylpropyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate (CID 123852280) is [2-(methylamino)-2-oxoethyl] N-[2-[1-[5-(2-methylpropyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate.
What is the SMILES notation for [2-(methylamino)-2-oxoethyl] N-[2-[1-[5-(2-methylpropyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate?
The canonical SMILES for [2-(methylamino)-2-oxoethyl] N-[2-[1-[5-(2-methylpropyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate is CNC(=O)COC(=O)NCCC1CCN(c2ccc(CC(C)C)cn2)CC1.
What is the InChIKey of [2-(methylamino)-2-oxoethyl] N-[2-[1-[5-(2-methylpropyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate?
The InChIKey is NAVOLXRXUZLGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O3/c1-15(2)12-17-4-5-18(23-13-17)24-10-7-16(8-11-24)6-9-22-20(26)27-14-19(25)21-3/h4-5,13,15-16H,6-12,14H2,1-3H3,(H,21,25)(H,22,26).
What are the key properties of [2-(methylamino)-2-oxoethyl] N-[2-[1-[5-(2-methylpropyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate?
[2-(methylamino)-2-oxoethyl] N-[2-[1-[5-(2-methylpropyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate has a molecular weight of 376.50 g/mol, XLogP of 2.36, 8 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-[5-(2-methylpropyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate is sourced from PubChem (CID 123852280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).