ethyl 4-[1-(furan-3-ylmethyl)piperidin-3-yl]piperazine-1-carboxylate

C17H27N3O3 — CID 45221664

IUPACethyl 4-[1-(furan-3-ylmethyl)piperidin-3-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C2CCCN(Cc3ccoc3)C2)CC1
InChIInChI=1S/C17H27N3O3/c1-2-23-17(21)20-9-7-19(8-10-20)16-4-3-6-18(13-16)12-15-5-11-22-14-15/h5,11,14,16H,2-4,6-10,12-13H2,1H3
InChIKeyPYZQUMHYZPZHEQ-UHFFFAOYSA-N
MW321.42 g/mol
LogP2.02
Rot. Bonds4

About ethyl 4-[1-(furan-3-ylmethyl)piperidin-3-yl]piperazine-1-carboxylate

ethyl 4-[1-(furan-3-ylmethyl)piperidin-3-yl]piperazine-1-carboxylate (PubChem CID 45221664) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is ethyl 4-[1-(furan-3-ylmethyl)piperidin-3-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[1-(furan-3-ylmethyl)piperidin-3-yl]piperazine-1-carboxylate
PubChem CID45221664
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Nameethyl 4-[1-(furan-3-ylmethyl)piperidin-3-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C2CCCN(Cc3ccoc3)C2)CC1
InChIInChI=1S/C17H27N3O3/c1-2-23-17(21)20-9-7-19(8-10-20)16-4-3-6-18(13-16)12-15-5-11-22-14-15/h5,11,14,16H,2-4,6-10,12-13H2,1H3
InChIKeyPYZQUMHYZPZHEQ-UHFFFAOYSA-N
XLogP2.02
TPSA49.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[1-(furan-3-ylmethyl)piperidin-3-yl]piperazine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-3-yl]piperazine-1-carboxylate
CID 45250188
1-(furan-3-ylmethyl)-3-pyrrolidin-1-ylpiperidine
CID 45250487
ethyl 4-[1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-3-yl]piperazine-1-carboxylate
CID 45228014
ethyl 4-[(3S)-1-[(3-chloro-4-hydroxy-5-methoxyphenyl)methyl]piperidin-3-yl]piperazine-1-carboxylate
CID 30727989
ethyl 4-[(3S)-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]piperazine-1-carboxylate
CID 29219326
ethyl 4-[(3S)-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]piperazine-1-carboxylate
CID 51633658
ethyl 4-[1-[(1-methyl-3-phenylpyrazol-4-yl)methyl]piperidin-3-yl]piperazine-1-carboxylate
CID 45250547
ethyl 4-[1-[(6-chloroquinolin-2-yl)methyl]piperidin-3-yl]piperazine-1-carboxylate
CID 45240787
ethyl 4-[(3R)-1-[(Z)-2-chloro-3-phenylprop-2-enyl]piperidin-3-yl]piperazine-1-carboxylate
CID 30733358
ethyl 4-[(3R)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidin-3-yl]piperazine-1-carboxylate
CID 51636179
ethyl 4-[(3R)-1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]piperazine-1-carboxylate
CID 28955767
4-(1-benzylpiperidin-3-yl)piperazine-1-carboxylic acid
CID 68706242

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[1-(furan-3-ylmethyl)piperidin-3-yl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[1-(furan-3-ylmethyl)piperidin-3-yl]piperazine-1-carboxylate (CID 45221664) is ethyl 4-[1-(furan-3-ylmethyl)piperidin-3-yl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[1-(furan-3-ylmethyl)piperidin-3-yl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[1-(furan-3-ylmethyl)piperidin-3-yl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C2CCCN(Cc3ccoc3)C2)CC1.
What is the InChIKey of ethyl 4-[1-(furan-3-ylmethyl)piperidin-3-yl]piperazine-1-carboxylate?
The InChIKey is PYZQUMHYZPZHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-2-23-17(21)20-9-7-19(8-10-20)16-4-3-6-18(13-16)12-15-5-11-22-14-15/h5,11,14,16H,2-4,6-10,12-13H2,1H3.
What are the key properties of ethyl 4-[1-(furan-3-ylmethyl)piperidin-3-yl]piperazine-1-carboxylate?
ethyl 4-[1-(furan-3-ylmethyl)piperidin-3-yl]piperazine-1-carboxylate has a molecular weight of 321.42 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[1-(furan-3-ylmethyl)piperidin-3-yl]piperazine-1-carboxylate is sourced from PubChem (CID 45221664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).