ethyl 1-[4-(2-pyridin-4-ylpiperazin-1-yl)benzoyl]piperidine-4-carboxylate

C24H30N4O3 — CID 18918322

IUPACethyl 1-[4-(2-pyridin-4-ylpiperazin-1-yl)benzoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2ccc(N3CCNCC3c3ccncc3)cc2)CC1
InChIInChI=1S/C24H30N4O3/c1-2-31-24(30)20-9-14-27(15-10-20)23(29)19-3-5-21(6-4-19)28-16-13-26-17-22(28)18-7-11-25-12-8-18/h3-8,11-12,20,22,26H,2,9-10,13-17H2,1H3
InChIKeyUZSJMDPTUMXOPS-UHFFFAOYSA-N
MW422.53 g/mol
LogP2.65
Rot. Bonds5

About ethyl 1-[4-(2-pyridin-4-ylpiperazin-1-yl)benzoyl]piperidine-4-carboxylate

ethyl 1-[4-(2-pyridin-4-ylpiperazin-1-yl)benzoyl]piperidine-4-carboxylate (PubChem CID 18918322) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is ethyl 1-[4-(2-pyridin-4-ylpiperazin-1-yl)benzoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[4-(2-pyridin-4-ylpiperazin-1-yl)benzoyl]piperidine-4-carboxylate
PubChem CID18918322
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC Nameethyl 1-[4-(2-pyridin-4-ylpiperazin-1-yl)benzoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2ccc(N3CCNCC3c3ccncc3)cc2)CC1
InChIInChI=1S/C24H30N4O3/c1-2-31-24(30)20-9-14-27(15-10-20)23(29)19-3-5-21(6-4-19)28-16-13-26-17-22(28)18-7-11-25-12-8-18/h3-8,11-12,20,22,26H,2,9-10,13-17H2,1H3
InChIKeyUZSJMDPTUMXOPS-UHFFFAOYSA-N
XLogP2.65
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-benzoyl-4-(2-pyridin-4-ylpiperazin-1-yl)piperidine-3-carboxylate
CID 70078986
4-(2-pyridin-4-ylpiperazin-1-yl)phenol
CID 18918318
ethyl 1-(pyridine-3-carbonyl)piperidine-4-carboxylate
CID 2303084
ethyl 1-[4-(chloromethyl)benzoyl]piperidine-4-carboxylate
CID 43333531
ethyl (3R)-1-(pyridine-4-carbonyl)piperidine-3-carboxylate
CID 81344217
ethyl 1-[4-(imidazol-1-ylmethyl)benzoyl]piperidine-4-carboxylate
CID 43923306
ethyl 1-(3-methoxypyridine-4-carbonyl)piperidine-4-carboxylate
CID 105064219
ethyl 1-(2-methylpyrimidine-5-carbonyl)piperidine-4-carboxylate
CID 155405233
ethyl 1-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzoyl]piperidine-4-carboxylate
CID 50828615
ethyl 1-(4-pentoxybenzoyl)piperidine-4-carboxylate
CID 17230839
ethyl 1-[4-(dipropylsulfamoyl)benzoyl]piperidine-4-carboxylate
CID 44533421
butyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 91711955

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[4-(2-pyridin-4-ylpiperazin-1-yl)benzoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[4-(2-pyridin-4-ylpiperazin-1-yl)benzoyl]piperidine-4-carboxylate (CID 18918322) is ethyl 1-[4-(2-pyridin-4-ylpiperazin-1-yl)benzoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[4-(2-pyridin-4-ylpiperazin-1-yl)benzoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[4-(2-pyridin-4-ylpiperazin-1-yl)benzoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2ccc(N3CCNCC3c3ccncc3)cc2)CC1.
What is the InChIKey of ethyl 1-[4-(2-pyridin-4-ylpiperazin-1-yl)benzoyl]piperidine-4-carboxylate?
The InChIKey is UZSJMDPTUMXOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-2-31-24(30)20-9-14-27(15-10-20)23(29)19-3-5-21(6-4-19)28-16-13-26-17-22(28)18-7-11-25-12-8-18/h3-8,11-12,20,22,26H,2,9-10,13-17H2,1H3.
What are the key properties of ethyl 1-[4-(2-pyridin-4-ylpiperazin-1-yl)benzoyl]piperidine-4-carboxylate?
ethyl 1-[4-(2-pyridin-4-ylpiperazin-1-yl)benzoyl]piperidine-4-carboxylate has a molecular weight of 422.53 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[4-(2-pyridin-4-ylpiperazin-1-yl)benzoyl]piperidine-4-carboxylate is sourced from PubChem (CID 18918322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).