ethyl 4-(4-pyridin-4-ylpiperidin-1-yl)piperidine-1-carboxylate

C18H27N3O2 — CID 78318993

IUPACethyl 4-(4-pyridin-4-ylpiperidin-1-yl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCC(c3ccncc3)CC2)CC1
InChIInChI=1S/C18H27N3O2/c1-2-23-18(22)21-13-7-17(8-14-21)20-11-5-16(6-12-20)15-3-9-19-10-4-15/h3-4,9-10,16-17H,2,5-8,11-14H2,1H3
InChIKeyUIZFWMBMVXYYQQ-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.88
Rot. Bonds3

About ethyl 4-(4-pyridin-4-ylpiperidin-1-yl)piperidine-1-carboxylate

ethyl 4-(4-pyridin-4-ylpiperidin-1-yl)piperidine-1-carboxylate (PubChem CID 78318993) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is ethyl 4-(4-pyridin-4-ylpiperidin-1-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-pyridin-4-ylpiperidin-1-yl)piperidine-1-carboxylate
PubChem CID78318993
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Nameethyl 4-(4-pyridin-4-ylpiperidin-1-yl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCC(c3ccncc3)CC2)CC1
InChIInChI=1S/C18H27N3O2/c1-2-23-18(22)21-13-7-17(8-14-21)20-11-5-16(6-12-20)15-3-9-19-10-4-15/h3-4,9-10,16-17H,2,5-8,11-14H2,1H3
InChIKeyUIZFWMBMVXYYQQ-UHFFFAOYSA-N
XLogP2.88
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[4-(3-methoxy-4-pyridinyl)piperidin-1-yl]azepane-1-carboxylate
CID 78319058
ethyl 4-[4-(4-methoxy-3-pyridinyl)piperidin-1-yl]azepane-1-carboxylate
CID 78318147
ethyl (4R)-4-[4-(2-methoxy-3-pyridinyl)piperidin-1-yl]azepane-1-carboxylate
CID 78318452
ethyl 4-(4-pyrimidin-2-ylpiperidin-1-yl)azepane-1-carboxylate
CID 78318381
ethyl 4-[4-(4-methoxypyridazin-3-yl)piperidin-1-yl]azepane-1-carboxylate
CID 78318316
ethyl 4-(4-naphthalen-1-ylpiperidin-1-yl)piperidine-1-carboxylate
CID 24770902
ethyl 4-[4-[2-(fluoromethoxy)-3-pyridinyl]piperidin-1-yl]azepane-1-carboxylate
CID 118604292
ethyl 4-(4-cyanophenyl)piperidine-1-carboxylate
CID 67435574
ethyl 4-(4-phenylpiperazin-1-yl)piperidine-1-carboxylate
CID 3469280
ethyl 4-[4-[5-(acetamidomethyl)pyrazol-1-yl]piperidin-1-yl]azepane-1-carboxylate
CID 78318934
ethyl 4-[4-(5-methyl-1-benzothiophen-3-yl)piperidin-1-yl]piperidine-1-carboxylate
CID 11740879
ethyl 4-piperidin-1-ylazepane-1-carboxylate
CID 123362818

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-pyridin-4-ylpiperidin-1-yl)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(4-pyridin-4-ylpiperidin-1-yl)piperidine-1-carboxylate (CID 78318993) is ethyl 4-(4-pyridin-4-ylpiperidin-1-yl)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(4-pyridin-4-ylpiperidin-1-yl)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(4-pyridin-4-ylpiperidin-1-yl)piperidine-1-carboxylate is CCOC(=O)N1CCC(N2CCC(c3ccncc3)CC2)CC1.
What is the InChIKey of ethyl 4-(4-pyridin-4-ylpiperidin-1-yl)piperidine-1-carboxylate?
The InChIKey is UIZFWMBMVXYYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-2-23-18(22)21-13-7-17(8-14-21)20-11-5-16(6-12-20)15-3-9-19-10-4-15/h3-4,9-10,16-17H,2,5-8,11-14H2,1H3.
What are the key properties of ethyl 4-(4-pyridin-4-ylpiperidin-1-yl)piperidine-1-carboxylate?
ethyl 4-(4-pyridin-4-ylpiperidin-1-yl)piperidine-1-carboxylate has a molecular weight of 317.43 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-pyridin-4-ylpiperidin-1-yl)piperidine-1-carboxylate is sourced from PubChem (CID 78318993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).