ethyl 1-(6-phenylmethoxypyrimidine-4-carbonyl)piperidine-3-carboxylate

C20H23N3O4 — CID 121167757

IUPACethyl 1-(6-phenylmethoxypyrimidine-4-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2cc(OCc3ccccc3)ncn2)C1
InChIInChI=1S/C20H23N3O4/c1-2-26-20(25)16-9-6-10-23(12-16)19(24)17-11-18(22-14-21-17)27-13-15-7-4-3-5-8-15/h3-5,7-8,11,14,16H,2,6,9-10,12-13H2,1H3
InChIKeyAOFSQIVGUNZTAD-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.47
Rot. Bonds6

About ethyl 1-(6-phenylmethoxypyrimidine-4-carbonyl)piperidine-3-carboxylate

ethyl 1-(6-phenylmethoxypyrimidine-4-carbonyl)piperidine-3-carboxylate (PubChem CID 121167757) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is ethyl 1-(6-phenylmethoxypyrimidine-4-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(6-phenylmethoxypyrimidine-4-carbonyl)piperidine-3-carboxylate
PubChem CID121167757
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Nameethyl 1-(6-phenylmethoxypyrimidine-4-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2cc(OCc3ccccc3)ncn2)C1
InChIInChI=1S/C20H23N3O4/c1-2-26-20(25)16-9-6-10-23(12-16)19(24)17-11-18(22-14-21-17)27-13-15-7-4-3-5-8-15/h3-5,7-8,11,14,16H,2,6,9-10,12-13H2,1H3
InChIKeyAOFSQIVGUNZTAD-UHFFFAOYSA-N
XLogP2.47
TPSA81.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(6-phenylmethoxypyrimidine-4-carbonyl)piperidine-4-carboxamide
CID 91816326
ethyl 1-(2-phenylmethoxypyridine-4-carbonyl)piperidine-4-carboxylate
CID 47069831
ethyl 1-(6-methylpyridine-2-carbonyl)piperidine-3-carboxylate
CID 43423232
ethyl (3S)-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxylate
CID 81345143
ethyl 1-(5-methyl-2-phenyltriazole-4-carbonyl)piperidine-3-carboxylate
CID 46532056
ethyl (3R)-1-(4-benzoylbenzoyl)piperidine-3-carboxylate
CID 30283825
ethyl (3S)-1-(2-methylbenzoyl)piperidine-3-carboxylate
CID 81345354
ethyl 1-(6-chloropyridazine-3-carbonyl)piperidine-3-carboxylate
CID 60859036
ethyl (3S)-1-(naphthalene-2-carbonyl)piperidine-3-carboxylate
CID 26710230
ethyl 1-(1-methylimidazole-4-carbonyl)piperidine-3-carboxylate
CID 103803360
oxolan-2-yl-[4-(6-phenylmethoxypyrimidine-4-carbonyl)piperazin-1-yl]methanone
CID 121168031
ethyl (3R)-1-(pyridine-4-carbonyl)piperidine-3-carboxylate
CID 81344217

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(6-phenylmethoxypyrimidine-4-carbonyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(6-phenylmethoxypyrimidine-4-carbonyl)piperidine-3-carboxylate (CID 121167757) is ethyl 1-(6-phenylmethoxypyrimidine-4-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(6-phenylmethoxypyrimidine-4-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(6-phenylmethoxypyrimidine-4-carbonyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)c2cc(OCc3ccccc3)ncn2)C1.
What is the InChIKey of ethyl 1-(6-phenylmethoxypyrimidine-4-carbonyl)piperidine-3-carboxylate?
The InChIKey is AOFSQIVGUNZTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-2-26-20(25)16-9-6-10-23(12-16)19(24)17-11-18(22-14-21-17)27-13-15-7-4-3-5-8-15/h3-5,7-8,11,14,16H,2,6,9-10,12-13H2,1H3.
What are the key properties of ethyl 1-(6-phenylmethoxypyrimidine-4-carbonyl)piperidine-3-carboxylate?
ethyl 1-(6-phenylmethoxypyrimidine-4-carbonyl)piperidine-3-carboxylate has a molecular weight of 369.42 g/mol, XLogP of 2.47, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(6-phenylmethoxypyrimidine-4-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 121167757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).