ethyl 4-[4-(2-ethylpiperidine-1-carbonyl)pyrimidin-2-yl]piperazine-1-carboxylate

C19H29N5O3 — CID 109310228

IUPACethyl 4-[4-(2-ethylpiperidine-1-carbonyl)pyrimidin-2-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2nccc(C(=O)N3CCCCC3CC)n2)CC1
InChIInChI=1S/C19H29N5O3/c1-3-15-7-5-6-10-24(15)17(25)16-8-9-20-18(21-16)22-11-13-23(14-12-22)19(26)27-4-2/h8-9,15H,3-7,10-14H2,1-2H3
InChIKeyADADVOZEXHBIJB-UHFFFAOYSA-N
MW375.47 g/mol
LogP2.16
Rot. Bonds4

About ethyl 4-[4-(2-ethylpiperidine-1-carbonyl)pyrimidin-2-yl]piperazine-1-carboxylate

ethyl 4-[4-(2-ethylpiperidine-1-carbonyl)pyrimidin-2-yl]piperazine-1-carboxylate (PubChem CID 109310228) has the molecular formula C19H29N5O3 and a molecular weight of 375.47 g/mol. Its IUPAC name is ethyl 4-[4-(2-ethylpiperidine-1-carbonyl)pyrimidin-2-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[4-(2-ethylpiperidine-1-carbonyl)pyrimidin-2-yl]piperazine-1-carboxylate
PubChem CID109310228
Molecular FormulaC19H29N5O3
Molecular Weight375.47 g/mol
Exact Mass375.23
IUPAC Nameethyl 4-[4-(2-ethylpiperidine-1-carbonyl)pyrimidin-2-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2nccc(C(=O)N3CCCCC3CC)n2)CC1
InChIInChI=1S/C19H29N5O3/c1-3-15-7-5-6-10-24(15)17(25)16-8-9-20-18(21-16)22-11-13-23(14-12-22)19(26)27-4-2/h8-9,15H,3-7,10-14H2,1-2H3
InChIKeyADADVOZEXHBIJB-UHFFFAOYSA-N
XLogP2.16
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-(2-ethylpiperidine-1-carbonyl)pyrimidin-2-yl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[4-(2-ethylpiperidine-1-carbonyl)pyrimidin-2-yl]piperazine-1-carboxylate (CID 109310228) is ethyl 4-[4-(2-ethylpiperidine-1-carbonyl)pyrimidin-2-yl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[4-(2-ethylpiperidine-1-carbonyl)pyrimidin-2-yl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[4-(2-ethylpiperidine-1-carbonyl)pyrimidin-2-yl]piperazine-1-carboxylate is CCOC(=O)N1CCN(c2nccc(C(=O)N3CCCCC3CC)n2)CC1.
What is the InChIKey of ethyl 4-[4-(2-ethylpiperidine-1-carbonyl)pyrimidin-2-yl]piperazine-1-carboxylate?
The InChIKey is ADADVOZEXHBIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O3/c1-3-15-7-5-6-10-24(15)17(25)16-8-9-20-18(21-16)22-11-13-23(14-12-22)19(26)27-4-2/h8-9,15H,3-7,10-14H2,1-2H3.
What are the key properties of ethyl 4-[4-(2-ethylpiperidine-1-carbonyl)pyrimidin-2-yl]piperazine-1-carboxylate?
ethyl 4-[4-(2-ethylpiperidine-1-carbonyl)pyrimidin-2-yl]piperazine-1-carboxylate has a molecular weight of 375.47 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-(2-ethylpiperidine-1-carbonyl)pyrimidin-2-yl]piperazine-1-carboxylate is sourced from PubChem (CID 109310228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).