N-benzyl-1-[(3-ethoxy-4-hydroxyphenyl)methyl]-N-ethylpiperidine-4-carboxamide

C24H32N2O3 — CID 3589734

IUPACN-benzyl-1-[(3-ethoxy-4-hydroxyphenyl)methyl]-N-ethylpiperidine-4-carboxamide
SMILESCCOc1cc(CN2CCC(C(=O)N(CC)Cc3ccccc3)CC2)ccc1O
InChIInChI=1S/C24H32N2O3/c1-3-26(18-19-8-6-5-7-9-19)24(28)21-12-14-25(15-13-21)17-20-10-11-22(27)23(16-20)29-4-2/h5-11,16,21,27H,3-4,12-15,17-18H2,1-2H3
InChIKeyCCNJDHNHBWLSLJ-UHFFFAOYSA-N
MW396.53 g/mol
LogP4.05
Rot. Bonds8

About N-benzyl-1-[(3-ethoxy-4-hydroxyphenyl)methyl]-N-ethylpiperidine-4-carboxamide

N-benzyl-1-[(3-ethoxy-4-hydroxyphenyl)methyl]-N-ethylpiperidine-4-carboxamide (PubChem CID 3589734) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is N-benzyl-1-[(3-ethoxy-4-hydroxyphenyl)methyl]-N-ethylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[(3-ethoxy-4-hydroxyphenyl)methyl]-N-ethylpiperidine-4-carboxamide
PubChem CID3589734
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC NameN-benzyl-1-[(3-ethoxy-4-hydroxyphenyl)methyl]-N-ethylpiperidine-4-carboxamide
SMILESCCOc1cc(CN2CCC(C(=O)N(CC)Cc3ccccc3)CC2)ccc1O
InChIInChI=1S/C24H32N2O3/c1-3-26(18-19-8-6-5-7-9-19)24(28)21-12-14-25(15-13-21)17-20-10-11-22(27)23(16-20)29-4-2/h5-11,16,21,27H,3-4,12-15,17-18H2,1-2H3
InChIKeyCCNJDHNHBWLSLJ-UHFFFAOYSA-N
XLogP4.05
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-1-[(3-ethoxy-4-hydroxyphenyl)methyl]-N-methylpiperidine-4-carboxamide;oxalic acid
CID 126467965
(3S)-1-[(3-ethoxy-4-hydroxyphenyl)methyl]-N,N-diethylpiperidine-3-carboxamide
CID 765858
N-benzyl-1-[(4-chlorophenyl)methyl]-N-ethylpiperidine-4-carboxamide;oxalic acid
CID 2903464
N-benzyl-N-ethyl-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid
CID 44828320
1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidine-4-carboxamide
CID 5180016
N-benzyl-1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid
CID 17388879
4-[(4-benzylpiperidin-1-yl)methyl]-2-ethoxyphenol
CID 3441291
1-[(3-ethoxyphenyl)methyl]-N,N-diethylpiperidine-4-carboxamide
CID 43918618
2-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-4-yl]acetic acid
CID 28701059
N-benzyl-N-(2-hydroxyethyl)-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide
CID 2903593
N-benzyl-N-ethyl-1-[(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 649006
N-cyclopentyl-1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidine-4-carboxamide
CID 3645638

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[(3-ethoxy-4-hydroxyphenyl)methyl]-N-ethylpiperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-[(3-ethoxy-4-hydroxyphenyl)methyl]-N-ethylpiperidine-4-carboxamide (CID 3589734) is N-benzyl-1-[(3-ethoxy-4-hydroxyphenyl)methyl]-N-ethylpiperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-[(3-ethoxy-4-hydroxyphenyl)methyl]-N-ethylpiperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-[(3-ethoxy-4-hydroxyphenyl)methyl]-N-ethylpiperidine-4-carboxamide is CCOc1cc(CN2CCC(C(=O)N(CC)Cc3ccccc3)CC2)ccc1O.
What is the InChIKey of N-benzyl-1-[(3-ethoxy-4-hydroxyphenyl)methyl]-N-ethylpiperidine-4-carboxamide?
The InChIKey is CCNJDHNHBWLSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-3-26(18-19-8-6-5-7-9-19)24(28)21-12-14-25(15-13-21)17-20-10-11-22(27)23(16-20)29-4-2/h5-11,16,21,27H,3-4,12-15,17-18H2,1-2H3.
What are the key properties of N-benzyl-1-[(3-ethoxy-4-hydroxyphenyl)methyl]-N-ethylpiperidine-4-carboxamide?
N-benzyl-1-[(3-ethoxy-4-hydroxyphenyl)methyl]-N-ethylpiperidine-4-carboxamide has a molecular weight of 396.53 g/mol, XLogP of 4.05, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[(3-ethoxy-4-hydroxyphenyl)methyl]-N-ethylpiperidine-4-carboxamide is sourced from PubChem (CID 3589734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).