ethyl 4-[[(4-chlorophenyl)-pyridin-3-ylmethyl]amino]piperidine-1-carboxylate

C20H24ClN3O2 — CID 56658657

IUPACethyl 4-[[(4-chlorophenyl)-pyridin-3-ylmethyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(c2ccc(Cl)cc2)c2cccnc2)CC1
InChIInChI=1S/C20H24ClN3O2/c1-2-26-20(25)24-12-9-18(10-13-24)23-19(16-4-3-11-22-14-16)15-5-7-17(21)8-6-15/h3-8,11,14,18-19,23H,2,9-10,12-13H2,1H3
InChIKeySFKUCXBBGSFQPI-UHFFFAOYSA-N
MW373.88 g/mol
LogP4.03
Rot. Bonds5

About ethyl 4-[[(4-chlorophenyl)-pyridin-3-ylmethyl]amino]piperidine-1-carboxylate

ethyl 4-[[(4-chlorophenyl)-pyridin-3-ylmethyl]amino]piperidine-1-carboxylate (PubChem CID 56658657) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is ethyl 4-[[(4-chlorophenyl)-pyridin-3-ylmethyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[(4-chlorophenyl)-pyridin-3-ylmethyl]amino]piperidine-1-carboxylate
PubChem CID56658657
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC Nameethyl 4-[[(4-chlorophenyl)-pyridin-3-ylmethyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(c2ccc(Cl)cc2)c2cccnc2)CC1
InChIInChI=1S/C20H24ClN3O2/c1-2-26-20(25)24-12-9-18(10-13-24)23-19(16-4-3-11-22-14-16)15-5-7-17(21)8-6-15/h3-8,11,14,18-19,23H,2,9-10,12-13H2,1H3
InChIKeySFKUCXBBGSFQPI-UHFFFAOYSA-N
XLogP4.03
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[(4-chlorophenyl)-pyridin-3-ylmethyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[(4-chlorophenyl)-pyridin-3-ylmethyl]amino]piperidine-1-carboxylate (CID 56658657) is ethyl 4-[[(4-chlorophenyl)-pyridin-3-ylmethyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[(4-chlorophenyl)-pyridin-3-ylmethyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[(4-chlorophenyl)-pyridin-3-ylmethyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(c2ccc(Cl)cc2)c2cccnc2)CC1.
What is the InChIKey of ethyl 4-[[(4-chlorophenyl)-pyridin-3-ylmethyl]amino]piperidine-1-carboxylate?
The InChIKey is SFKUCXBBGSFQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2/c1-2-26-20(25)24-12-9-18(10-13-24)23-19(16-4-3-11-22-14-16)15-5-7-17(21)8-6-15/h3-8,11,14,18-19,23H,2,9-10,12-13H2,1H3.
What are the key properties of ethyl 4-[[(4-chlorophenyl)-pyridin-3-ylmethyl]amino]piperidine-1-carboxylate?
ethyl 4-[[(4-chlorophenyl)-pyridin-3-ylmethyl]amino]piperidine-1-carboxylate has a molecular weight of 373.88 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[(4-chlorophenyl)-pyridin-3-ylmethyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 56658657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).