1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidine-4-carboxamide

C15H22N2O3 — CID 5180016

IUPAC1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidine-4-carboxamide
SMILESCCOc1cc(CN2CCC(C(N)=O)CC2)ccc1O
InChIInChI=1S/C15H22N2O3/c1-2-20-14-9-11(3-4-13(14)18)10-17-7-5-12(6-8-17)15(16)19/h3-4,9,12,18H,2,5-8,10H2,1H3,(H2,16,19)
InChIKeySVCOMDDFMAWGHD-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.49
Rot. Bonds5

About 1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidine-4-carboxamide

1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidine-4-carboxamide (PubChem CID 5180016) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidine-4-carboxamide
PubChem CID5180016
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidine-4-carboxamide
SMILESCCOc1cc(CN2CCC(C(N)=O)CC2)ccc1O
InChIInChI=1S/C15H22N2O3/c1-2-20-14-9-11(3-4-13(14)18)10-17-7-5-12(6-8-17)15(16)19/h3-4,9,12,18H,2,5-8,10H2,1H3,(H2,16,19)
InChIKeySVCOMDDFMAWGHD-UHFFFAOYSA-N
XLogP1.49
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidine-4-carboxamide
CID 3645638
2-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-4-yl]acetic acid
CID 28701059
[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone;oxalic acid
CID 126467826
2-ethoxy-4-[[4-(methoxymethyl)piperidin-1-yl]methyl]phenol
CID 82981139
N-benzyl-1-[(3-ethoxy-4-hydroxyphenyl)methyl]-N-ethylpiperidine-4-carboxamide
CID 3589734
N-benzyl-1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid
CID 17388879
2-ethoxy-4-(piperazin-1-ylmethyl)phenol
CID 54914762
N-benzyl-1-[(3-ethoxy-4-hydroxyphenyl)methyl]-N-methylpiperidine-4-carboxamide;oxalic acid
CID 126467965
4-[(4-benzylpiperidin-1-yl)methyl]-2-ethoxyphenol
CID 3441291
ethyl (2R)-1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidine-2-carboxylate
CID 40633764
(3S)-1-[(3-ethoxy-4-hydroxyphenyl)methyl]-N,N-diethylpiperidine-3-carboxamide
CID 765858
1-[(4-aminophenyl)methyl]piperidine-4-carboxamide
CID 16788434

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidine-4-carboxamide (CID 5180016) is 1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidine-4-carboxamide is CCOc1cc(CN2CCC(C(N)=O)CC2)ccc1O.
What is the InChIKey of 1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is SVCOMDDFMAWGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-2-20-14-9-11(3-4-13(14)18)10-17-7-5-12(6-8-17)15(16)19/h3-4,9,12,18H,2,5-8,10H2,1H3,(H2,16,19).
What are the key properties of 1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidine-4-carboxamide?
1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 278.35 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 5180016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).