1-butanoyl-N-methyl-N-[3-(2-methylphenoxy)propyl]piperidine-4-carboxamide

C21H32N2O3 — CID 55898192

IUPAC1-butanoyl-N-methyl-N-[3-(2-methylphenoxy)propyl]piperidine-4-carboxamide
SMILESCCCC(=O)N1CCC(C(=O)N(C)CCCOc2ccccc2C)CC1
InChIInChI=1S/C21H32N2O3/c1-4-8-20(24)23-14-11-18(12-15-23)21(25)22(3)13-7-16-26-19-10-6-5-9-17(19)2/h5-6,9-10,18H,4,7-8,11-16H2,1-3H3
InChIKeyIEOQQOLLOVMKQO-UHFFFAOYSA-N
MW360.50 g/mol
LogP3.26
Rot. Bonds8

About 1-butanoyl-N-methyl-N-[3-(2-methylphenoxy)propyl]piperidine-4-carboxamide

1-butanoyl-N-methyl-N-[3-(2-methylphenoxy)propyl]piperidine-4-carboxamide (PubChem CID 55898192) has the molecular formula C21H32N2O3 and a molecular weight of 360.50 g/mol. Its IUPAC name is 1-butanoyl-N-methyl-N-[3-(2-methylphenoxy)propyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-butanoyl-N-methyl-N-[3-(2-methylphenoxy)propyl]piperidine-4-carboxamide
PubChem CID55898192
Molecular FormulaC21H32N2O3
Molecular Weight360.50 g/mol
Exact Mass360.24
IUPAC Name1-butanoyl-N-methyl-N-[3-(2-methylphenoxy)propyl]piperidine-4-carboxamide
SMILESCCCC(=O)N1CCC(C(=O)N(C)CCCOc2ccccc2C)CC1
InChIInChI=1S/C21H32N2O3/c1-4-8-20(24)23-14-11-18(12-15-23)21(25)22(3)13-7-16-26-19-10-6-5-9-17(19)2/h5-6,9-10,18H,4,7-8,11-16H2,1-3H3
InChIKeyIEOQQOLLOVMKQO-UHFFFAOYSA-N
XLogP3.26
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 53.26
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-butanoyl-N-[2-(4-fluorophenoxy)ethyl]-N-methylpiperidine-4-carboxamide
CID 55870530
1-[2-[methyl-[4-(2-methylphenoxy)butanoyl]amino]acetyl]piperidine-4-carboxylic acid
CID 119236349
1-[4-[(2-methylphenoxy)methyl]piperidin-1-yl]pentan-1-one
CID 110411424
1-(4-methylazepan-1-yl)-4-(2-methylphenoxy)butan-1-one
CID 60599847
N-methyl-1-(2-methyl-5-nitrophenyl)sulfonyl-N-[3-(2-methylphenoxy)propyl]piperidine-4-carboxamide
CID 55897801
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methyl-N-[3-(2-methylphenoxy)propyl]piperidine-4-carboxamide
CID 55898448
1-(4-ethoxyphenyl)sulfonyl-N-methyl-N-[2-(2-methylphenoxy)ethyl]piperidine-4-carboxamide
CID 31670247
ethyl 4-[4-(2-methylphenoxy)butanoyl]piperazine-1-carboxylate
CID 108569168
1-[3-(2-methylphenoxy)propanoyl]piperidin-4-one
CID 39361353
N-methyl-N-[3-(2-methylphenoxy)propyl]piperidine-2-carboxamide
CID 119298328
N-butyl-1-[2-(2-fluorophenyl)acetyl]-N-methylpiperidine-4-carboxamide
CID 113005684
N-methyl-N-[3-(2-methylphenoxy)propyl]-2-oxoimidazolidine-4-carboxamide
CID 71877849

Frequently Asked Questions

What is the IUPAC name of 1-butanoyl-N-methyl-N-[3-(2-methylphenoxy)propyl]piperidine-4-carboxamide?
The IUPAC name of 1-butanoyl-N-methyl-N-[3-(2-methylphenoxy)propyl]piperidine-4-carboxamide (CID 55898192) is 1-butanoyl-N-methyl-N-[3-(2-methylphenoxy)propyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-butanoyl-N-methyl-N-[3-(2-methylphenoxy)propyl]piperidine-4-carboxamide?
The canonical SMILES for 1-butanoyl-N-methyl-N-[3-(2-methylphenoxy)propyl]piperidine-4-carboxamide is CCCC(=O)N1CCC(C(=O)N(C)CCCOc2ccccc2C)CC1.
What is the InChIKey of 1-butanoyl-N-methyl-N-[3-(2-methylphenoxy)propyl]piperidine-4-carboxamide?
The InChIKey is IEOQQOLLOVMKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O3/c1-4-8-20(24)23-14-11-18(12-15-23)21(25)22(3)13-7-16-26-19-10-6-5-9-17(19)2/h5-6,9-10,18H,4,7-8,11-16H2,1-3H3.
What are the key properties of 1-butanoyl-N-methyl-N-[3-(2-methylphenoxy)propyl]piperidine-4-carboxamide?
1-butanoyl-N-methyl-N-[3-(2-methylphenoxy)propyl]piperidine-4-carboxamide has a molecular weight of 360.50 g/mol, XLogP of 3.26, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butanoyl-N-methyl-N-[3-(2-methylphenoxy)propyl]piperidine-4-carboxamide is sourced from PubChem (CID 55898192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).