ethyl 4-[[3-(methoxymethyl)phenyl]methylcarbamoyl]piperidine-1-carboxylate

C18H26N2O4 — CID 46470868

IUPACethyl 4-[[3-(methoxymethyl)phenyl]methylcarbamoyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(C(=O)NCc2cccc(COC)c2)CC1
InChIInChI=1S/C18H26N2O4/c1-3-24-18(22)20-9-7-16(8-10-20)17(21)19-12-14-5-4-6-15(11-14)13-23-2/h4-6,11,16H,3,7-10,12-13H2,1-2H3,(H,19,21)
InChIKeyISMFATFLBHJMDY-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.32
Rot. Bonds6

About ethyl 4-[[3-(methoxymethyl)phenyl]methylcarbamoyl]piperidine-1-carboxylate

ethyl 4-[[3-(methoxymethyl)phenyl]methylcarbamoyl]piperidine-1-carboxylate (PubChem CID 46470868) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is ethyl 4-[[3-(methoxymethyl)phenyl]methylcarbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[3-(methoxymethyl)phenyl]methylcarbamoyl]piperidine-1-carboxylate
PubChem CID46470868
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Nameethyl 4-[[3-(methoxymethyl)phenyl]methylcarbamoyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(C(=O)NCc2cccc(COC)c2)CC1
InChIInChI=1S/C18H26N2O4/c1-3-24-18(22)20-9-7-16(8-10-20)17(21)19-12-14-5-4-6-15(11-14)13-23-2/h4-6,11,16H,3,7-10,12-13H2,1-2H3,(H,19,21)
InChIKeyISMFATFLBHJMDY-UHFFFAOYSA-N
XLogP2.32
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(methoxymethyl)phenyl]methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 55727564
ethyl 4-[[N'-[[3-(methoxymethyl)phenyl]methyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111054044
1-[2-[[3-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 56796668
3-[[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]amino]methyl]benzoic acid
CID 172875964
ethyl 1-[N-ethyl-N'-[[3-(methoxymethyl)phenyl]methyl]carbamimidoyl]piperidine-4-carboxylate
CID 111154920
ethyl 4-[(2-fluorophenyl)methylcarbamoyl]piperidine-1-carboxylate
CID 26241437
trans-methyl (1S,2S)-2-[[3-(methoxymethyl)phenyl]methylcarbamoyl]cyclopropane-1-carboxylate
CID 99816213
N-[[4-(methoxymethyl)phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 46415724
benzyl 4-[(2-methoxy-2-oxoethyl)carbamoyl]piperidine-1-carboxylate
CID 3776046
1-(furan-2-carbonyl)-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 33280813
ethyl 1-[N'-methyl-N-[[3-(phenylmethoxymethyl)phenyl]methyl]carbamimidoyl]piperidine-4-carboxylate
CID 111155382
N-[(3-methoxyphenyl)methyl]-1-methylpiperidine-4-carboxamide
CID 70985796

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[3-(methoxymethyl)phenyl]methylcarbamoyl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[3-(methoxymethyl)phenyl]methylcarbamoyl]piperidine-1-carboxylate (CID 46470868) is ethyl 4-[[3-(methoxymethyl)phenyl]methylcarbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[3-(methoxymethyl)phenyl]methylcarbamoyl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[3-(methoxymethyl)phenyl]methylcarbamoyl]piperidine-1-carboxylate is CCOC(=O)N1CCC(C(=O)NCc2cccc(COC)c2)CC1.
What is the InChIKey of ethyl 4-[[3-(methoxymethyl)phenyl]methylcarbamoyl]piperidine-1-carboxylate?
The InChIKey is ISMFATFLBHJMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-3-24-18(22)20-9-7-16(8-10-20)17(21)19-12-14-5-4-6-15(11-14)13-23-2/h4-6,11,16H,3,7-10,12-13H2,1-2H3,(H,19,21).
What are the key properties of ethyl 4-[[3-(methoxymethyl)phenyl]methylcarbamoyl]piperidine-1-carboxylate?
ethyl 4-[[3-(methoxymethyl)phenyl]methylcarbamoyl]piperidine-1-carboxylate has a molecular weight of 334.42 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[3-(methoxymethyl)phenyl]methylcarbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 46470868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).