N-[(3,4-dimethylphenoxy)methyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide

C17H26N2O3 — CID 108879278

IUPACN-[(3,4-dimethylphenoxy)methyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide
SMILESCc1ccc(OCNC(=O)N2CCCCC2CCO)cc1C
InChIInChI=1S/C17H26N2O3/c1-13-6-7-16(11-14(13)2)22-12-18-17(21)19-9-4-3-5-15(19)8-10-20/h6-7,11,15,20H,3-5,8-10,12H2,1-2H3,(H,18,21)
InChIKeyKBGIVRIMALFLDI-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.59
Rot. Bonds5

About N-[(3,4-dimethylphenoxy)methyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide

N-[(3,4-dimethylphenoxy)methyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide (PubChem CID 108879278) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[(3,4-dimethylphenoxy)methyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethylphenoxy)methyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide
PubChem CID108879278
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC NameN-[(3,4-dimethylphenoxy)methyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide
SMILESCc1ccc(OCNC(=O)N2CCCCC2CCO)cc1C
InChIInChI=1S/C17H26N2O3/c1-13-6-7-16(11-14(13)2)22-12-18-17(21)19-9-4-3-5-15(19)8-10-20/h6-7,11,15,20H,3-5,8-10,12H2,1-2H3,(H,18,21)
InChIKeyKBGIVRIMALFLDI-UHFFFAOYSA-N
XLogP2.59
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(4-chloro-3-methylphenoxy)-1-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 60741845
N-[(3,4-dimethylphenoxy)methyl]-4-(2-hydroxyethyl)piperazine-1-carboxamide
CID 108879128
2-(3,4-dimethylphenoxy)-1-[2-(hydroxymethyl)azepan-1-yl]ethanone
CID 116636323
(2S)-2-(2-hydroxyethyl)-N-[2-(4-methylphenyl)ethyl]piperidine-1-carboxamide
CID 124670162
2-(2-hydroxyethyl)-N-[2-(3-methoxyphenyl)ethyl]piperidine-1-carboxamide
CID 108901080
N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-(2-hydroxyethyl)piperidine-1-carboxamide
CID 43969537
2-(2-hydroxyethyl)-N-[(3-methylphenyl)methyl]piperidine-1-carboxamide
CID 108898255
(2S)-N-[3-(2-fluorophenyl)propyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide
CID 125140406
N-[(3,4-dimethylphenoxy)methyl]morpholine-4-carboxamide
CID 108879035
(2R)-N-[[2-(dimethylamino)-4-methylphenyl]methyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide
CID 99851395
2-[(2R)-1-[3-(3,4-dimethylphenoxy)propanoyl]piperidin-2-yl]acetamide
CID 52811665
3-amino-N-[[1-[3-(3,4-dimethylphenoxy)propanoyl]piperidin-2-yl]methyl]propanamide
CID 120578155

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethylphenoxy)methyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide?
The IUPAC name of N-[(3,4-dimethylphenoxy)methyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide (CID 108879278) is N-[(3,4-dimethylphenoxy)methyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(3,4-dimethylphenoxy)methyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[(3,4-dimethylphenoxy)methyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide is Cc1ccc(OCNC(=O)N2CCCCC2CCO)cc1C.
What is the InChIKey of N-[(3,4-dimethylphenoxy)methyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide?
The InChIKey is KBGIVRIMALFLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-13-6-7-16(11-14(13)2)22-12-18-17(21)19-9-4-3-5-15(19)8-10-20/h6-7,11,15,20H,3-5,8-10,12H2,1-2H3,(H,18,21).
What are the key properties of N-[(3,4-dimethylphenoxy)methyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide?
N-[(3,4-dimethylphenoxy)methyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethylphenoxy)methyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide is sourced from PubChem (CID 108879278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).