N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylpiperidine-2-carboxamide

C18H28N2O4 — CID 119344771

IUPACN-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylpiperidine-2-carboxamide
SMILESCOc1cc(OC)cc(OCCCN(C)C(=O)C2CCCCN2)c1
InChIInChI=1S/C18H28N2O4/c1-20(18(21)17-7-4-5-8-19-17)9-6-10-24-16-12-14(22-2)11-15(13-16)23-3/h11-13,17,19H,4-10H2,1-3H3
InChIKeyLVXXTBYVQZLZQX-UHFFFAOYSA-N
MW336.43 g/mol
LogP2.07
Rot. Bonds8

About N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylpiperidine-2-carboxamide

N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylpiperidine-2-carboxamide (PubChem CID 119344771) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylpiperidine-2-carboxamide
PubChem CID119344771
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC NameN-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylpiperidine-2-carboxamide
SMILESCOc1cc(OC)cc(OCCCN(C)C(=O)C2CCCCN2)c1
InChIInChI=1S/C18H28N2O4/c1-20(18(21)17-7-4-5-8-19-17)9-6-10-24-16-12-14(22-2)11-15(13-16)23-3/h11-13,17,19H,4-10H2,1-3H3
InChIKeyLVXXTBYVQZLZQX-UHFFFAOYSA-N
XLogP2.07
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxypropyl)-N-methylpiperidine-2-carboxamide
CID 63008049
N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methyl-1,3-thiazolidine-4-carboxamide
CID 119344769
N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119820838
(2R)-N-(3-methoxypropyl)-N-methylpyrrolidine-2-carboxamide
CID 94912304
N-methyl-N-[3-(2-methylphenoxy)propyl]piperidine-2-carboxamide
CID 119298328
(2S)-N-[2-(4-bromophenoxy)ethyl]-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119684300
(2S)-N-methyl-N-(2-phenoxyethyl)pyrrolidine-2-carboxamide
CID 61164431
N-[2-(4-fluorophenoxy)ethyl]-N-methylpyrrolidine-2-carboxamide
CID 60711684
N-[2-(4-fluorophenoxy)ethyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119274354
N-methyl-N-[2-(4-methylphenoxy)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119274400
(2R)-N-methyl-N-propylpiperidine-2-carboxamide
CID 93272806
3-amino-N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylcyclohexane-1-carboxamide
CID 119820809

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylpiperidine-2-carboxamide?
The IUPAC name of N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylpiperidine-2-carboxamide (CID 119344771) is N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylpiperidine-2-carboxamide?
The canonical SMILES for N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylpiperidine-2-carboxamide is COc1cc(OC)cc(OCCCN(C)C(=O)C2CCCCN2)c1.
What is the InChIKey of N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylpiperidine-2-carboxamide?
The InChIKey is LVXXTBYVQZLZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-20(18(21)17-7-4-5-8-19-17)9-6-10-24-16-12-14(22-2)11-15(13-16)23-3/h11-13,17,19H,4-10H2,1-3H3.
What are the key properties of N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylpiperidine-2-carboxamide?
N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylpiperidine-2-carboxamide has a molecular weight of 336.43 g/mol, XLogP of 2.07, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 119344771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).