N-[1-[(2-ethoxyphenyl)methyl]-3-(hydroxymethyl)piperidin-4-yl]acetamide

C17H26N2O3 — CID 156602331

IUPACN-[1-[(2-ethoxyphenyl)methyl]-3-(hydroxymethyl)piperidin-4-yl]acetamide
SMILESCCOc1ccccc1CN1CCC(NC(C)=O)C(CO)C1
InChIInChI=1S/C17H26N2O3/c1-3-22-17-7-5-4-6-14(17)10-19-9-8-16(18-13(2)21)15(11-19)12-20/h4-7,15-16,20H,3,8-12H2,1-2H3,(H,18,21)
InChIKeyWLPHHXZOUSVYTM-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.40
Rot. Bonds6

About N-[1-[(2-ethoxyphenyl)methyl]-3-(hydroxymethyl)piperidin-4-yl]acetamide

N-[1-[(2-ethoxyphenyl)methyl]-3-(hydroxymethyl)piperidin-4-yl]acetamide (PubChem CID 156602331) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[1-[(2-ethoxyphenyl)methyl]-3-(hydroxymethyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[(2-ethoxyphenyl)methyl]-3-(hydroxymethyl)piperidin-4-yl]acetamide
PubChem CID156602331
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC NameN-[1-[(2-ethoxyphenyl)methyl]-3-(hydroxymethyl)piperidin-4-yl]acetamide
SMILESCCOc1ccccc1CN1CCC(NC(C)=O)C(CO)C1
InChIInChI=1S/C17H26N2O3/c1-3-22-17-7-5-4-6-14(17)10-19-9-8-16(18-13(2)21)15(11-19)12-20/h4-7,15-16,20H,3,8-12H2,1-2H3,(H,18,21)
InChIKeyWLPHHXZOUSVYTM-UHFFFAOYSA-N
XLogP1.40
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[(2-ethoxyphenyl)methyl]piperidine-4-carboxylate
CID 60670101
[1-[(2-ethoxyphenyl)methyl]-4-methylpiperidin-3-yl]methanamine
CID 114959752
(3S,4R)-1-[[2-(2-hydroxyethoxy)phenyl]methyl]-4-(hydroxymethyl)piperidin-3-ol
CID 155911283
1-acetyl-4-[(2-ethoxyphenyl)methyl]-1,4-diazepane-6-carboxamide
CID 110098469
(6R)-1-[(2-ethoxyphenyl)methyl]-N,4-dimethyl-1,4-diazepane-6-carboxamide
CID 124991058
4-benzyl-1-[(2-ethoxyphenyl)methyl]piperidine;oxalic acid
CID 163328313
1-[(2-ethoxyphenyl)methyl]-4-methyl-1,4-diazepane-6-carboxamide
CID 127245398
(3R)-1-[(2-chlorophenyl)methyl]-N-[(2-ethoxyphenyl)methyl]piperidine-3-carboxamide
CID 94023565
(3R,4R)-1-[(2-ethoxyphenyl)methyl]-3-methyl-4-(oxan-4-yl)piperidin-4-ol
CID 72880822
N-[(2-ethoxyphenyl)methyl]-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 46775726
[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]methanamine
CID 54793651
3-[[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]-methylamino]propan-1-ol
CID 111381460

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-ethoxyphenyl)methyl]-3-(hydroxymethyl)piperidin-4-yl]acetamide?
The IUPAC name of N-[1-[(2-ethoxyphenyl)methyl]-3-(hydroxymethyl)piperidin-4-yl]acetamide (CID 156602331) is N-[1-[(2-ethoxyphenyl)methyl]-3-(hydroxymethyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[(2-ethoxyphenyl)methyl]-3-(hydroxymethyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[(2-ethoxyphenyl)methyl]-3-(hydroxymethyl)piperidin-4-yl]acetamide is CCOc1ccccc1CN1CCC(NC(C)=O)C(CO)C1.
What is the InChIKey of N-[1-[(2-ethoxyphenyl)methyl]-3-(hydroxymethyl)piperidin-4-yl]acetamide?
The InChIKey is WLPHHXZOUSVYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-3-22-17-7-5-4-6-14(17)10-19-9-8-16(18-13(2)21)15(11-19)12-20/h4-7,15-16,20H,3,8-12H2,1-2H3,(H,18,21).
What are the key properties of N-[1-[(2-ethoxyphenyl)methyl]-3-(hydroxymethyl)piperidin-4-yl]acetamide?
N-[1-[(2-ethoxyphenyl)methyl]-3-(hydroxymethyl)piperidin-4-yl]acetamide has a molecular weight of 306.41 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-ethoxyphenyl)methyl]-3-(hydroxymethyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 156602331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).