ethyl 2-piperidin-4-yl-4-pyridin-4-ylpiperazine-1-carboxylate

C17H26N4O2 — CID 91350585

IUPACethyl 2-piperidin-4-yl-4-pyridin-4-ylpiperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2ccncc2)CC1C1CCNCC1
InChIInChI=1S/C17H26N4O2/c1-2-23-17(22)21-12-11-20(15-5-9-19-10-6-15)13-16(21)14-3-7-18-8-4-14/h5-6,9-10,14,16,18H,2-4,7-8,11-13H2,1H3
InChIKeyQBWBCMIZRAZDQM-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.73
Rot. Bonds3

About ethyl 2-piperidin-4-yl-4-pyridin-4-ylpiperazine-1-carboxylate

ethyl 2-piperidin-4-yl-4-pyridin-4-ylpiperazine-1-carboxylate (PubChem CID 91350585) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is ethyl 2-piperidin-4-yl-4-pyridin-4-ylpiperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-piperidin-4-yl-4-pyridin-4-ylpiperazine-1-carboxylate
PubChem CID91350585
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Nameethyl 2-piperidin-4-yl-4-pyridin-4-ylpiperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2ccncc2)CC1C1CCNCC1
InChIInChI=1S/C17H26N4O2/c1-2-23-17(22)21-12-11-20(15-5-9-19-10-6-15)13-16(21)14-3-7-18-8-4-14/h5-6,9-10,14,16,18H,2-4,7-8,11-13H2,1H3
InChIKeyQBWBCMIZRAZDQM-UHFFFAOYSA-N
XLogP1.73
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[4-(aminomethyl)phenyl]-2-(1-methylpiperidin-4-yl)piperazine-1-carboxylate
CID 174648166
ethyl 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-4-phenylpiperazine-1-carboxylate
CID 90752050
ethyl 2-methyl-4-phenylpiperazine-1-carboxylate
CID 110707926
(4-pyridin-4-ylpiperazin-1-yl) 3-oxo-2-piperidin-4-ylpentanoate
CID 67706408
(2-methylpropan-2-yl)oxycarbonyl 2-amino-4-pyridin-4-ylpiperazine-1-carboxylate
CID 87312162
3-oxo-2-(piperidin-4-ylmethyl)-2-(4-pyridin-4-ylpiperazin-1-yl)pentanoic acid
CID 22378018
(6-methoxypyridazin-3-yl) 2-piperidin-4-yl-4-propan-2-ylpiperazine-1-carboxylate
CID 71522736
ethyl 5-(4-pyridin-4-ylpiperazin-1-yl)pentanoate
CID 21462657
[1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl] 2-piperidin-4-ylacetate;hydrochloride
CID 67706422
3-oxo-2-piperidin-4-yl-2-(4-pyridin-4-ylpiperazin-1-yl)heptanoic acid
CID 67706362
ethyl 2-piperidin-4-ylacetate;ethyl 2-pyridin-4-ylacetate
CID 157278253
[(3S)-1-pyridin-4-ylpyrrolidin-3-yl]methanol
CID 129367724

Frequently Asked Questions

What is the IUPAC name of ethyl 2-piperidin-4-yl-4-pyridin-4-ylpiperazine-1-carboxylate?
The IUPAC name of ethyl 2-piperidin-4-yl-4-pyridin-4-ylpiperazine-1-carboxylate (CID 91350585) is ethyl 2-piperidin-4-yl-4-pyridin-4-ylpiperazine-1-carboxylate.
What is the SMILES notation for ethyl 2-piperidin-4-yl-4-pyridin-4-ylpiperazine-1-carboxylate?
The canonical SMILES for ethyl 2-piperidin-4-yl-4-pyridin-4-ylpiperazine-1-carboxylate is CCOC(=O)N1CCN(c2ccncc2)CC1C1CCNCC1.
What is the InChIKey of ethyl 2-piperidin-4-yl-4-pyridin-4-ylpiperazine-1-carboxylate?
The InChIKey is QBWBCMIZRAZDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-2-23-17(22)21-12-11-20(15-5-9-19-10-6-15)13-16(21)14-3-7-18-8-4-14/h5-6,9-10,14,16,18H,2-4,7-8,11-13H2,1H3.
What are the key properties of ethyl 2-piperidin-4-yl-4-pyridin-4-ylpiperazine-1-carboxylate?
ethyl 2-piperidin-4-yl-4-pyridin-4-ylpiperazine-1-carboxylate has a molecular weight of 318.42 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-piperidin-4-yl-4-pyridin-4-ylpiperazine-1-carboxylate is sourced from PubChem (CID 91350585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).