ethyl 2-[4-(diethylcarbamoyl)piperidin-1-yl]-4-(dimethylamino)pyrimidine-5-carboxylate

C19H31N5O3 — CID 59517812

IUPACethyl 2-[4-(diethylcarbamoyl)piperidin-1-yl]-4-(dimethylamino)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(N2CCC(C(=O)N(CC)CC)CC2)nc1N(C)C
InChIInChI=1S/C19H31N5O3/c1-6-23(7-2)17(25)14-9-11-24(12-10-14)19-20-13-15(18(26)27-8-3)16(21-19)22(4)5/h13-14H,6-12H2,1-5H3
InChIKeyZVKYKRREUFRUMU-UHFFFAOYSA-N
MW377.49 g/mol
LogP1.80
Rot. Bonds7

About ethyl 2-[4-(diethylcarbamoyl)piperidin-1-yl]-4-(dimethylamino)pyrimidine-5-carboxylate

ethyl 2-[4-(diethylcarbamoyl)piperidin-1-yl]-4-(dimethylamino)pyrimidine-5-carboxylate (PubChem CID 59517812) has the molecular formula C19H31N5O3 and a molecular weight of 377.49 g/mol. Its IUPAC name is ethyl 2-[4-(diethylcarbamoyl)piperidin-1-yl]-4-(dimethylamino)pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[4-(diethylcarbamoyl)piperidin-1-yl]-4-(dimethylamino)pyrimidine-5-carboxylate
PubChem CID59517812
Molecular FormulaC19H31N5O3
Molecular Weight377.49 g/mol
Exact Mass377.24
IUPAC Nameethyl 2-[4-(diethylcarbamoyl)piperidin-1-yl]-4-(dimethylamino)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(N2CCC(C(=O)N(CC)CC)CC2)nc1N(C)C
InChIInChI=1S/C19H31N5O3/c1-6-23(7-2)17(25)14-9-11-24(12-10-14)19-20-13-15(18(26)27-8-3)16(21-19)22(4)5/h13-14H,6-12H2,1-5H3
InChIKeyZVKYKRREUFRUMU-UHFFFAOYSA-N
XLogP1.80
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(diethylcarbamoyl)piperidin-1-yl]-4-(dimethylamino)pyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-[4-(diethylcarbamoyl)piperidin-1-yl]-4-(dimethylamino)pyrimidine-5-carboxylate (CID 59517812) is ethyl 2-[4-(diethylcarbamoyl)piperidin-1-yl]-4-(dimethylamino)pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-[4-(diethylcarbamoyl)piperidin-1-yl]-4-(dimethylamino)pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-[4-(diethylcarbamoyl)piperidin-1-yl]-4-(dimethylamino)pyrimidine-5-carboxylate is CCOC(=O)c1cnc(N2CCC(C(=O)N(CC)CC)CC2)nc1N(C)C.
What is the InChIKey of ethyl 2-[4-(diethylcarbamoyl)piperidin-1-yl]-4-(dimethylamino)pyrimidine-5-carboxylate?
The InChIKey is ZVKYKRREUFRUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O3/c1-6-23(7-2)17(25)14-9-11-24(12-10-14)19-20-13-15(18(26)27-8-3)16(21-19)22(4)5/h13-14H,6-12H2,1-5H3.
What are the key properties of ethyl 2-[4-(diethylcarbamoyl)piperidin-1-yl]-4-(dimethylamino)pyrimidine-5-carboxylate?
ethyl 2-[4-(diethylcarbamoyl)piperidin-1-yl]-4-(dimethylamino)pyrimidine-5-carboxylate has a molecular weight of 377.49 g/mol, XLogP of 1.80, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(diethylcarbamoyl)piperidin-1-yl]-4-(dimethylamino)pyrimidine-5-carboxylate is sourced from PubChem (CID 59517812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).