ethyl 4-[6-methyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carbonyl]piperazine-1-carboxylate

C19H29N5O3 — CID 109332006

IUPACethyl 4-[6-methyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2cc(C)nc(N3CCCC(C)C3)n2)CC1
InChIInChI=1S/C19H29N5O3/c1-4-27-19(26)23-10-8-22(9-11-23)17(25)16-12-15(3)20-18(21-16)24-7-5-6-14(2)13-24/h12,14H,4-11,13H2,1-3H3
InChIKeyHOFUKNBXULXHIC-UHFFFAOYSA-N
MW375.47 g/mol
LogP1.94
Rot. Bonds3

About ethyl 4-[6-methyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carbonyl]piperazine-1-carboxylate

ethyl 4-[6-methyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carbonyl]piperazine-1-carboxylate (PubChem CID 109332006) has the molecular formula C19H29N5O3 and a molecular weight of 375.47 g/mol. Its IUPAC name is ethyl 4-[6-methyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carbonyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[6-methyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carbonyl]piperazine-1-carboxylate
PubChem CID109332006
Molecular FormulaC19H29N5O3
Molecular Weight375.47 g/mol
Exact Mass375.23
IUPAC Nameethyl 4-[6-methyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2cc(C)nc(N3CCCC(C)C3)n2)CC1
InChIInChI=1S/C19H29N5O3/c1-4-27-19(26)23-10-8-22(9-11-23)17(25)16-12-15(3)20-18(21-16)24-7-5-6-14(2)13-24/h12,14H,4-11,13H2,1-3H3
InChIKeyHOFUKNBXULXHIC-UHFFFAOYSA-N
XLogP1.94
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[6-methyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carbonyl]piperazine-1-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

[6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109325914
[6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109324420
ethyl 4-[2-(3-methylpiperidin-1-yl)pyrimidine-4-carbonyl]piperazine-1-carboxylate
CID 109310285
ethyl 4-[4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-yl]piperazine-1-carboxylate
CID 112923357
(3-methylpiperidin-1-yl)-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methanone
CID 109321612
6-methyl-2-(3-methylpiperidin-1-yl)-N-propan-2-ylpyrimidine-4-carboxamide
CID 109319530
[6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109322434
[6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109332039
ethyl 4-[5-(3-methylpiperidine-1-carbonyl)pyrimidin-2-yl]piperazine-1-carboxylate
CID 109261929
6-methyl-2-(3-methylpiperidin-1-yl)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109330253
6-methyl-N-[(2-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109327489
(4-methylpiperazin-1-yl)-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]methanone
CID 109302257

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[6-methyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carbonyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[6-methyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carbonyl]piperazine-1-carboxylate (CID 109332006) is ethyl 4-[6-methyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carbonyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[6-methyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carbonyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[6-methyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carbonyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)c2cc(C)nc(N3CCCC(C)C3)n2)CC1.
What is the InChIKey of ethyl 4-[6-methyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carbonyl]piperazine-1-carboxylate?
The InChIKey is HOFUKNBXULXHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O3/c1-4-27-19(26)23-10-8-22(9-11-23)17(25)16-12-15(3)20-18(21-16)24-7-5-6-14(2)13-24/h12,14H,4-11,13H2,1-3H3.
What are the key properties of ethyl 4-[6-methyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carbonyl]piperazine-1-carboxylate?
ethyl 4-[6-methyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carbonyl]piperazine-1-carboxylate has a molecular weight of 375.47 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[6-methyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carbonyl]piperazine-1-carboxylate is sourced from PubChem (CID 109332006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).