N-methyl-N-[3-(2-methylphenoxy)propyl]piperidine-2-carboxamide

C17H26N2O2 — CID 119298328

IUPACN-methyl-N-[3-(2-methylphenoxy)propyl]piperidine-2-carboxamide
SMILESCc1ccccc1OCCCN(C)C(=O)C1CCCCN1
InChIInChI=1S/C17H26N2O2/c1-14-8-3-4-10-16(14)21-13-7-12-19(2)17(20)15-9-5-6-11-18-15/h3-4,8,10,15,18H,5-7,9,11-13H2,1-2H3
InChIKeyVYMVONOJVZZFSV-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.36
Rot. Bonds6

About N-methyl-N-[3-(2-methylphenoxy)propyl]piperidine-2-carboxamide

N-methyl-N-[3-(2-methylphenoxy)propyl]piperidine-2-carboxamide (PubChem CID 119298328) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-methyl-N-[3-(2-methylphenoxy)propyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[3-(2-methylphenoxy)propyl]piperidine-2-carboxamide
PubChem CID119298328
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-methyl-N-[3-(2-methylphenoxy)propyl]piperidine-2-carboxamide
SMILESCc1ccccc1OCCCN(C)C(=O)C1CCCCN1
InChIInChI=1S/C17H26N2O2/c1-14-8-3-4-10-16(14)21-13-7-12-19(2)17(20)15-9-5-6-11-18-15/h3-4,8,10,15,18H,5-7,9,11-13H2,1-2H3
InChIKeyVYMVONOJVZZFSV-UHFFFAOYSA-N
XLogP2.36
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-[2-(2-chlorophenoxy)ethyl]-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119695444
N-methyl-N-[3-(2-methylphenoxy)propyl]-2-oxoimidazolidine-4-carboxamide
CID 71877849
N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylpiperidine-2-carboxamide
CID 119344771
N-(3-methoxypropyl)-N-methylpiperidine-2-carboxamide
CID 63008049
(3R)-N-methyl-N-[2-(2-methylphenoxy)ethyl]morpholine-3-carboxamide
CID 124513206
(2S)-N-methyl-N-(2-phenoxyethyl)pyrrolidine-2-carboxamide
CID 61164431
(2R)-N-[(2-ethoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 103809566
(2R)-N-methyl-N-[(2-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 93042188
(2R)-N-(3-methoxypropyl)-N-methylpyrrolidine-2-carboxamide
CID 94912304
(2S,4S)-N,2-dimethyl-N-[2-(2-methylphenoxy)ethyl]piperidine-4-carboxamide
CID 120618998
N-[2-(4-fluorophenoxy)ethyl]-N-methylpyrrolidine-2-carboxamide
CID 60711684
(2S)-N-[2-(4-bromophenoxy)ethyl]-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119684300

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-(2-methylphenoxy)propyl]piperidine-2-carboxamide?
The IUPAC name of N-methyl-N-[3-(2-methylphenoxy)propyl]piperidine-2-carboxamide (CID 119298328) is N-methyl-N-[3-(2-methylphenoxy)propyl]piperidine-2-carboxamide.
What is the SMILES notation for N-methyl-N-[3-(2-methylphenoxy)propyl]piperidine-2-carboxamide?
The canonical SMILES for N-methyl-N-[3-(2-methylphenoxy)propyl]piperidine-2-carboxamide is Cc1ccccc1OCCCN(C)C(=O)C1CCCCN1.
What is the InChIKey of N-methyl-N-[3-(2-methylphenoxy)propyl]piperidine-2-carboxamide?
The InChIKey is VYMVONOJVZZFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-14-8-3-4-10-16(14)21-13-7-12-19(2)17(20)15-9-5-6-11-18-15/h3-4,8,10,15,18H,5-7,9,11-13H2,1-2H3.
What are the key properties of N-methyl-N-[3-(2-methylphenoxy)propyl]piperidine-2-carboxamide?
N-methyl-N-[3-(2-methylphenoxy)propyl]piperidine-2-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-(2-methylphenoxy)propyl]piperidine-2-carboxamide is sourced from PubChem (CID 119298328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).