methyl 2-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethylcarbamoyl]piperidine-1-carboxylate

C16H24N4O4 — CID 91776928

IUPACmethyl 2-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethylcarbamoyl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCCCC1C(=O)NCCn1c(C)cc(C)nc1=O
InChIInChI=1S/C16H24N4O4/c1-11-10-12(2)19(15(22)18-11)9-7-17-14(21)13-6-4-5-8-20(13)16(23)24-3/h10,13H,4-9H2,1-3H3,(H,17,21)
InChIKeyHUQWKEBXUGBDSP-UHFFFAOYSA-N
MW336.39 g/mol
LogP0.60
Rot. Bonds4

About methyl 2-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethylcarbamoyl]piperidine-1-carboxylate

methyl 2-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethylcarbamoyl]piperidine-1-carboxylate (PubChem CID 91776928) has the molecular formula C16H24N4O4 and a molecular weight of 336.39 g/mol. Its IUPAC name is methyl 2-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethylcarbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethylcarbamoyl]piperidine-1-carboxylate
PubChem CID91776928
Molecular FormulaC16H24N4O4
Molecular Weight336.39 g/mol
Exact Mass336.18
IUPAC Namemethyl 2-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethylcarbamoyl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCCCC1C(=O)NCCn1c(C)cc(C)nc1=O
InChIInChI=1S/C16H24N4O4/c1-11-10-12(2)19(15(22)18-11)9-7-17-14(21)13-6-4-5-8-20(13)16(23)24-3/h10,13H,4-9H2,1-3H3,(H,17,21)
InChIKeyHUQWKEBXUGBDSP-UHFFFAOYSA-N
XLogP0.60
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-{[2-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)ethyl]amino}piperidine-1-carboxylate
CID 50985175
N-cyclohexyl-2-{[2-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)ethyl]amino}butanamide
CID 50980300
ethyl 4-[(6-methyl-2-oxo-1H-pyrimidine-4-carbonyl)amino]piperidine-1-carboxylate
CID 71895233
N-[2-(4,6-dimethyl-2-oxo-1(2H)-pyrimidinyl)ethyl]-1-methyl-2-azepanecarboxamide
CID 72900625
(2S)-N-cyclohexyl-2-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethylamino]butanamide
CID 95143646
(2R)-N-cyclohexyl-2-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethylamino]butanamide
CID 95143647
(2S)-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1-methylazepane-2-carboxamide
CID 97201144
(2R)-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1-methylazepane-2-carboxamide
CID 97201146
methyl (2R)-2-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethylcarbamoyl]piperidine-1-carboxylate
CID 100054267
methyl (2S)-2-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethylcarbamoyl]piperidine-1-carboxylate
CID 100054268
1-acetyl-N-[2-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)ethyl]piperidine-2-carboxamide
CID 118792053
2-butyl-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-4-methyl-3-oxopiperazine-1-carboxamide
CID 121501398

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethylcarbamoyl]piperidine-1-carboxylate?
The IUPAC name of methyl 2-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethylcarbamoyl]piperidine-1-carboxylate (CID 91776928) is methyl 2-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethylcarbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for methyl 2-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethylcarbamoyl]piperidine-1-carboxylate?
The canonical SMILES for methyl 2-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethylcarbamoyl]piperidine-1-carboxylate is COC(=O)N1CCCCC1C(=O)NCCn1c(C)cc(C)nc1=O.
What is the InChIKey of methyl 2-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethylcarbamoyl]piperidine-1-carboxylate?
The InChIKey is HUQWKEBXUGBDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O4/c1-11-10-12(2)19(15(22)18-11)9-7-17-14(21)13-6-4-5-8-20(13)16(23)24-3/h10,13H,4-9H2,1-3H3,(H,17,21).
What are the key properties of methyl 2-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethylcarbamoyl]piperidine-1-carboxylate?
methyl 2-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethylcarbamoyl]piperidine-1-carboxylate has a molecular weight of 336.39 g/mol, XLogP of 0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethylcarbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 91776928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).