N,N-dimethyl-1-[3-(2-methylphenoxy)propyl]piperidine-3-carboxamide

C18H28N2O2 — CID 86869655

IUPACN,N-dimethyl-1-[3-(2-methylphenoxy)propyl]piperidine-3-carboxamide
SMILESCc1ccccc1OCCCN1CCCC(C(=O)N(C)C)C1
InChIInChI=1S/C18H28N2O2/c1-15-8-4-5-10-17(15)22-13-7-12-20-11-6-9-16(14-20)18(21)19(2)3/h4-5,8,10,16H,6-7,9,11-14H2,1-3H3
InChIKeyZHFIXPVYGMMISE-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.56
Rot. Bonds6

About N,N-dimethyl-1-[3-(2-methylphenoxy)propyl]piperidine-3-carboxamide

N,N-dimethyl-1-[3-(2-methylphenoxy)propyl]piperidine-3-carboxamide (PubChem CID 86869655) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N,N-dimethyl-1-[3-(2-methylphenoxy)propyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-[3-(2-methylphenoxy)propyl]piperidine-3-carboxamide
PubChem CID86869655
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN,N-dimethyl-1-[3-(2-methylphenoxy)propyl]piperidine-3-carboxamide
SMILESCc1ccccc1OCCCN1CCCC(C(=O)N(C)C)C1
InChIInChI=1S/C18H28N2O2/c1-15-8-4-5-10-17(15)22-13-7-12-20-11-6-9-16(14-20)18(21)19(2)3/h4-5,8,10,16H,6-7,9,11-14H2,1-3H3
InChIKeyZHFIXPVYGMMISE-UHFFFAOYSA-N
XLogP2.56
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2-chlorophenoxy)ethyl]-N,N-dimethylpiperidine-3-carboxamide
CID 86869685
1-[3-[3-[3-[3-(3-carboxypiperidin-1-yl)propoxy]-2-methylphenyl]-2-methylphenoxy]propyl]piperidine-3-carboxylic acid
CID 175890294
1-(4-hydroxybutyl)-N,N-dimethylpiperidine-3-carboxamide
CID 110931950
1-[2-(2-methoxyethoxy)ethyl]-N,N-dimethylpiperidine-3-carboxamide
CID 75424732
[1-[2-(2-methylphenoxy)ethyl]piperidin-3-yl]methanol
CID 60645197
1-[3-(2,3-dimethylphenoxy)propyl]piperidin-3-ol
CID 127029872
1-[1-[3-(2-methylphenoxy)propyl]pyrrolidin-3-yl]ethanol
CID 110020455
1-[[2-(difluoromethoxy)phenyl]methyl]-N,N-dimethylpiperidine-3-carboxamide
CID 56822095
[4-(2-methylphenyl)piperazin-1-yl]-[1-(3-quinolin-5-yloxypropyl)piperidin-3-yl]methanone
CID 142138114
cyclobutyl-[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]methanone
CID 110410080
2-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]benzoic acid
CID 40801831
(3S)-1-[2-(2-chlorophenoxy)ethyl]piperidine-3-carboxylic acid
CID 93048495

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[3-(2-methylphenoxy)propyl]piperidine-3-carboxamide?
The IUPAC name of N,N-dimethyl-1-[3-(2-methylphenoxy)propyl]piperidine-3-carboxamide (CID 86869655) is N,N-dimethyl-1-[3-(2-methylphenoxy)propyl]piperidine-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-[3-(2-methylphenoxy)propyl]piperidine-3-carboxamide?
The canonical SMILES for N,N-dimethyl-1-[3-(2-methylphenoxy)propyl]piperidine-3-carboxamide is Cc1ccccc1OCCCN1CCCC(C(=O)N(C)C)C1.
What is the InChIKey of N,N-dimethyl-1-[3-(2-methylphenoxy)propyl]piperidine-3-carboxamide?
The InChIKey is ZHFIXPVYGMMISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-15-8-4-5-10-17(15)22-13-7-12-20-11-6-9-16(14-20)18(21)19(2)3/h4-5,8,10,16H,6-7,9,11-14H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[3-(2-methylphenoxy)propyl]piperidine-3-carboxamide?
N,N-dimethyl-1-[3-(2-methylphenoxy)propyl]piperidine-3-carboxamide has a molecular weight of 304.43 g/mol, XLogP of 2.56, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[3-(2-methylphenoxy)propyl]piperidine-3-carboxamide is sourced from PubChem (CID 86869655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).