(3R)-3-(dimethylamino)-N-[2-(4-methoxyphenoxy)ethyl]piperidine-1-carboxamide

C17H27N3O3 — CID 95598534

IUPAC(3R)-3-(dimethylamino)-N-[2-(4-methoxyphenoxy)ethyl]piperidine-1-carboxamide
SMILESCOc1ccc(OCCNC(=O)N2CCC[C@@H](N(C)C)C2)cc1
InChIInChI=1S/C17H27N3O3/c1-19(2)14-5-4-11-20(13-14)17(21)18-10-12-23-16-8-6-15(22-3)7-9-16/h6-9,14H,4-5,10-13H2,1-3H3,(H,18,21)/t14-/m1/s1
InChIKeyDQMFSIYVWXCJGS-CQSZACIVSA-N
MW321.42 g/mol
LogP1.81
Rot. Bonds6

About (3R)-3-(dimethylamino)-N-[2-(4-methoxyphenoxy)ethyl]piperidine-1-carboxamide

(3R)-3-(dimethylamino)-N-[2-(4-methoxyphenoxy)ethyl]piperidine-1-carboxamide (PubChem CID 95598534) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is (3R)-3-(dimethylamino)-N-[2-(4-methoxyphenoxy)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-(dimethylamino)-N-[2-(4-methoxyphenoxy)ethyl]piperidine-1-carboxamide
PubChem CID95598534
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name(3R)-3-(dimethylamino)-N-[2-(4-methoxyphenoxy)ethyl]piperidine-1-carboxamide
SMILESCOc1ccc(OCCNC(=O)N2CCC[C@@H](N(C)C)C2)cc1
InChIInChI=1S/C17H27N3O3/c1-19(2)14-5-4-11-20(13-14)17(21)18-10-12-23-16-8-6-15(22-3)7-9-16/h6-9,14H,4-5,10-13H2,1-3H3,(H,18,21)/t14-/m1/s1
InChIKeyDQMFSIYVWXCJGS-CQSZACIVSA-N
XLogP1.81
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-cycloheptyl-N-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide
CID 113110265
1-[2-(3,5-dimethoxyphenoxy)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 122006872
(4S)-4-(dimethylamino)-N-(3-pyridin-3-yloxypropyl)azepane-1-carboxamide
CID 126448105
N-[2-(4-methoxyphenoxy)ethyl]-2-oxo-2-pyrrolidin-1-ylacetamide
CID 108521116
1-(2,2-dimethylpropanoyl)-N-[2-(4-methoxyphenoxy)ethyl]piperidine-3-carboxamide
CID 47989754
1-N-[3-(4-methoxyphenoxy)propyl]piperidine-1,4-dicarboxamide
CID 56798865
N-[2-(4-methylphenoxy)ethyl]azepane-1-carboxamide
CID 112970074
N-[2-(3,5-dimethoxyphenoxy)ethyl]piperidine-1-carboxamide
CID 112975604
N-[2-(4-ethoxyphenoxy)ethyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide
CID 22830514
3-(methanesulfonamido)-N-(2-phenoxyethyl)piperidine-1-carboxamide
CID 51083543
N-[2-(4-methoxyphenoxy)ethyl]cyclopropanecarboxamide
CID 8935452
4-(2,6-dimethylphenyl)-N-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide
CID 113110274

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(dimethylamino)-N-[2-(4-methoxyphenoxy)ethyl]piperidine-1-carboxamide?
The IUPAC name of (3R)-3-(dimethylamino)-N-[2-(4-methoxyphenoxy)ethyl]piperidine-1-carboxamide (CID 95598534) is (3R)-3-(dimethylamino)-N-[2-(4-methoxyphenoxy)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-(dimethylamino)-N-[2-(4-methoxyphenoxy)ethyl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-(dimethylamino)-N-[2-(4-methoxyphenoxy)ethyl]piperidine-1-carboxamide is COc1ccc(OCCNC(=O)N2CCC[C@@H](N(C)C)C2)cc1.
What is the InChIKey of (3R)-3-(dimethylamino)-N-[2-(4-methoxyphenoxy)ethyl]piperidine-1-carboxamide?
The InChIKey is DQMFSIYVWXCJGS-CQSZACIVSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-19(2)14-5-4-11-20(13-14)17(21)18-10-12-23-16-8-6-15(22-3)7-9-16/h6-9,14H,4-5,10-13H2,1-3H3,(H,18,21)/t14-/m1/s1.
What are the key properties of (3R)-3-(dimethylamino)-N-[2-(4-methoxyphenoxy)ethyl]piperidine-1-carboxamide?
(3R)-3-(dimethylamino)-N-[2-(4-methoxyphenoxy)ethyl]piperidine-1-carboxamide has a molecular weight of 321.42 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(dimethylamino)-N-[2-(4-methoxyphenoxy)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 95598534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).