[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-4-carboxylate

C20H30N4O3 — CID 55999248

IUPAC[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-4-carboxylate
SMILESCCN(C(=O)COC(=O)C1CCN(c2ncccn2)CC1)C1CCCCC1
InChIInChI=1S/C20H30N4O3/c1-2-24(17-7-4-3-5-8-17)18(25)15-27-19(26)16-9-13-23(14-10-16)20-21-11-6-12-22-20/h6,11-12,16-17H,2-5,7-10,13-15H2,1H3
InChIKeyUNIVLXXYLSBPGU-UHFFFAOYSA-N
MW374.49 g/mol
LogP2.42
Rot. Bonds6

About [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-4-carboxylate

[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-4-carboxylate (PubChem CID 55999248) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-4-carboxylate.

Molecular Properties

Compound Name[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-4-carboxylate
PubChem CID55999248
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC Name[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-4-carboxylate
SMILESCCN(C(=O)COC(=O)C1CCN(c2ncccn2)CC1)C1CCCCC1
InChIInChI=1S/C20H30N4O3/c1-2-24(17-7-4-3-5-8-17)18(25)15-27-19(26)16-9-13-23(14-10-16)20-21-11-6-12-22-20/h6,11-12,16-17H,2-5,7-10,13-15H2,1H3
InChIKeyUNIVLXXYLSBPGU-UHFFFAOYSA-N
XLogP2.42
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

prop-2-enyl 1-pyrimidin-2-ylpiperidine-4-carboxylate
CID 86826366
[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxylate
CID 24979061
ethane;ethyl 1-(5-methylpyrimidin-2-yl)piperidine-4-carboxylate
CID 143917578
[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-4-carboxylate
CID 55999787
N-cyclohexyl-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 78782354
ethyl 1-[4-(dimethylamino)pyrimidin-2-yl]piperidine-4-carboxylate
CID 133365954
N-cyclohexyl-2-(2,6-dichlorophenoxy)-N-ethylacetamide
CID 112786349
[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] 1-pyrimidin-2-ylpiperidine-4-carboxylate
CID 55701684
ethyl 1-(3-nitro-2-pyridinyl)piperidine-4-carboxylate
CID 60631682
[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 55307564
[2-(4-butoxycarbonylanilino)-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-4-carboxylate
CID 55701387
[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-4-carboxylate
CID 55999654

Frequently Asked Questions

What is the IUPAC name of [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-4-carboxylate?
The IUPAC name of [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-4-carboxylate (CID 55999248) is [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-4-carboxylate.
What is the SMILES notation for [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-4-carboxylate?
The canonical SMILES for [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-4-carboxylate is CCN(C(=O)COC(=O)C1CCN(c2ncccn2)CC1)C1CCCCC1.
What is the InChIKey of [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-4-carboxylate?
The InChIKey is UNIVLXXYLSBPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-2-24(17-7-4-3-5-8-17)18(25)15-27-19(26)16-9-13-23(14-10-16)20-21-11-6-12-22-20/h6,11-12,16-17H,2-5,7-10,13-15H2,1H3.
What are the key properties of [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-4-carboxylate?
[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-4-carboxylate has a molecular weight of 374.49 g/mol, XLogP of 2.42, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-4-carboxylate is sourced from PubChem (CID 55999248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).