(2-amino-2-oxoethyl) N-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]carbamate

C15H22N4O3 — CID 68574049

IUPAC(2-amino-2-oxoethyl) N-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]carbamate
SMILESCc1ccc(N2CCC(CNC(=O)OCC(N)=O)CC2)nc1
InChIInChI=1S/C15H22N4O3/c1-11-2-3-14(17-8-11)19-6-4-12(5-7-19)9-18-15(21)22-10-13(16)20/h2-3,8,12H,4-7,9-10H2,1H3,(H2,16,20)(H,18,21)
InChIKeyYCRDTFNMAUPLPO-UHFFFAOYSA-N
MW306.37 g/mol
LogP0.82
Rot. Bonds5

About (2-amino-2-oxoethyl) N-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]carbamate

(2-amino-2-oxoethyl) N-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]carbamate (PubChem CID 68574049) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) N-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]carbamate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) N-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]carbamate
PubChem CID68574049
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name(2-amino-2-oxoethyl) N-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]carbamate
SMILESCc1ccc(N2CCC(CNC(=O)OCC(N)=O)CC2)nc1
InChIInChI=1S/C15H22N4O3/c1-11-2-3-14(17-8-11)19-6-4-12(5-7-19)9-18-15(21)22-10-13(16)20/h2-3,8,12H,4-7,9-10H2,1H3,(H2,16,20)(H,18,21)
InChIKeyYCRDTFNMAUPLPO-UHFFFAOYSA-N
XLogP0.82
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2-amino-2-oxoethyl) N-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) N-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]carbamate?
The IUPAC name of (2-amino-2-oxoethyl) N-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]carbamate (CID 68574049) is (2-amino-2-oxoethyl) N-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]carbamate.
What is the SMILES notation for (2-amino-2-oxoethyl) N-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]carbamate?
The canonical SMILES for (2-amino-2-oxoethyl) N-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]carbamate is Cc1ccc(N2CCC(CNC(=O)OCC(N)=O)CC2)nc1.
What is the InChIKey of (2-amino-2-oxoethyl) N-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]carbamate?
The InChIKey is YCRDTFNMAUPLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-11-2-3-14(17-8-11)19-6-4-12(5-7-19)9-18-15(21)22-10-13(16)20/h2-3,8,12H,4-7,9-10H2,1H3,(H2,16,20)(H,18,21).
What are the key properties of (2-amino-2-oxoethyl) N-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]carbamate?
(2-amino-2-oxoethyl) N-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]carbamate has a molecular weight of 306.37 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl) N-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]carbamate is sourced from PubChem (CID 68574049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).