[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] (2R)-1-pyrimidin-2-ylpiperidine-2-carboxylate

C24H26N4O3 — CID 38485472

IUPAC[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] (2R)-1-pyrimidin-2-ylpiperidine-2-carboxylate
SMILESCCN(C(=O)COC(=O)[C@H]1CCCCN1c1ncccn1)c1cccc2ccccc12
InChIInChI=1S/C24H26N4O3/c1-2-27(20-13-7-10-18-9-3-4-11-19(18)20)22(29)17-31-23(30)21-12-5-6-16-28(21)24-25-14-8-15-26-24/h3-4,7-11,13-15,21H,2,5-6,12,16-17H2,1H3/t21-/m1/s1
InChIKeyJBDAULFQHHUIFK-OAQYLSRUSA-N
MW418.50 g/mol
LogP3.59
Rot. Bonds6

About [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] (2R)-1-pyrimidin-2-ylpiperidine-2-carboxylate

[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] (2R)-1-pyrimidin-2-ylpiperidine-2-carboxylate (PubChem CID 38485472) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] (2R)-1-pyrimidin-2-ylpiperidine-2-carboxylate.

Molecular Properties

Compound Name[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] (2R)-1-pyrimidin-2-ylpiperidine-2-carboxylate
PubChem CID38485472
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] (2R)-1-pyrimidin-2-ylpiperidine-2-carboxylate
SMILESCCN(C(=O)COC(=O)[C@H]1CCCCN1c1ncccn1)c1cccc2ccccc12
InChIInChI=1S/C24H26N4O3/c1-2-27(20-13-7-10-18-9-3-4-11-19(18)20)22(29)17-31-23(30)21-12-5-6-16-28(21)24-25-14-8-15-26-24/h3-4,7-11,13-15,21H,2,5-6,12,16-17H2,1H3/t21-/m1/s1
InChIKeyJBDAULFQHHUIFK-OAQYLSRUSA-N
XLogP3.59
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] (2R)-1-pyrimidin-2-ylpiperidine-2-carboxylate?
The IUPAC name of [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] (2R)-1-pyrimidin-2-ylpiperidine-2-carboxylate (CID 38485472) is [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] (2R)-1-pyrimidin-2-ylpiperidine-2-carboxylate.
What is the SMILES notation for [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] (2R)-1-pyrimidin-2-ylpiperidine-2-carboxylate?
The canonical SMILES for [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] (2R)-1-pyrimidin-2-ylpiperidine-2-carboxylate is CCN(C(=O)COC(=O)[C@H]1CCCCN1c1ncccn1)c1cccc2ccccc12.
What is the InChIKey of [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] (2R)-1-pyrimidin-2-ylpiperidine-2-carboxylate?
The InChIKey is JBDAULFQHHUIFK-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-2-27(20-13-7-10-18-9-3-4-11-19(18)20)22(29)17-31-23(30)21-12-5-6-16-28(21)24-25-14-8-15-26-24/h3-4,7-11,13-15,21H,2,5-6,12,16-17H2,1H3/t21-/m1/s1.
What are the key properties of [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] (2R)-1-pyrimidin-2-ylpiperidine-2-carboxylate?
[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] (2R)-1-pyrimidin-2-ylpiperidine-2-carboxylate has a molecular weight of 418.50 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] (2R)-1-pyrimidin-2-ylpiperidine-2-carboxylate is sourced from PubChem (CID 38485472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).