N-butyl-1-[3-(methoxymethyl)benzoyl]-6-methylpiperidine-3-carboxamide

C20H30N2O3 — CID 51093171

IUPACN-butyl-1-[3-(methoxymethyl)benzoyl]-6-methylpiperidine-3-carboxamide
SMILESCCCCNC(=O)C1CCC(C)N(C(=O)c2cccc(COC)c2)C1
InChIInChI=1S/C20H30N2O3/c1-4-5-11-21-19(23)18-10-9-15(2)22(13-18)20(24)17-8-6-7-16(12-17)14-25-3/h6-8,12,15,18H,4-5,9-11,13-14H2,1-3H3,(H,21,23)
InChIKeyGKMHEXOZISRRNU-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.99
Rot. Bonds7

About N-butyl-1-[3-(methoxymethyl)benzoyl]-6-methylpiperidine-3-carboxamide

N-butyl-1-[3-(methoxymethyl)benzoyl]-6-methylpiperidine-3-carboxamide (PubChem CID 51093171) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is N-butyl-1-[3-(methoxymethyl)benzoyl]-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-1-[3-(methoxymethyl)benzoyl]-6-methylpiperidine-3-carboxamide
PubChem CID51093171
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC NameN-butyl-1-[3-(methoxymethyl)benzoyl]-6-methylpiperidine-3-carboxamide
SMILESCCCCNC(=O)C1CCC(C)N(C(=O)c2cccc(COC)c2)C1
InChIInChI=1S/C20H30N2O3/c1-4-5-11-21-19(23)18-10-9-15(2)22(13-18)20(24)17-8-6-7-16(12-17)14-25-3/h6-8,12,15,18H,4-5,9-11,13-14H2,1-3H3,(H,21,23)
InChIKeyGKMHEXOZISRRNU-UHFFFAOYSA-N
XLogP2.99
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.99
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

(3R,6R)-1-(4-ethylbenzoyl)-N-(2-methoxyethyl)-6-methylpiperidine-3-carboxamide
CID 94671477
(3S,6R)-N-butyl-6-methyl-1-(2-sulfanylidene-3H-1,3-benzoxazole-6-carbonyl)piperidine-3-carboxamide
CID 99811792
(3S,6S)-1-(3,4-difluorobenzoyl)-N-(2-methoxyethyl)-6-methylpiperidine-3-carboxamide
CID 94671496
(3R,6R)-1-acetyl-N-butyl-6-methylpiperidine-3-carboxamide
CID 95675542
(3S,6R)-1-(3-fluoro-4-methylbenzoyl)-N-(2-methoxyethyl)-6-methylpiperidine-3-carboxamide
CID 94671510
(3S,6R)-N-butyl-1-[4-(2-cyanoethylsulfamoyl)benzoyl]-6-methylpiperidine-3-carboxamide
CID 52511534
N-butyl-1-(2-hydroxy-2-phenylacetyl)-6-methylpiperidine-3-carboxamide
CID 111464473
(3R,6R)-1-(2,3-dimethylbenzoyl)-N-(2-methoxyethyl)-6-methylpiperidine-3-carboxamide
CID 97072416
2-[5-(butylcarbamoyl)-2-methylpiperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 119182113
N-butyl-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 113002679
1-(3-amino-3-phenylpropanoyl)-N-butyl-6-methylpiperidine-3-carboxamide
CID 119950444
6-[5-(2-methoxyethylcarbamoyl)-2-methylpiperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119182103

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-[3-(methoxymethyl)benzoyl]-6-methylpiperidine-3-carboxamide?
The IUPAC name of N-butyl-1-[3-(methoxymethyl)benzoyl]-6-methylpiperidine-3-carboxamide (CID 51093171) is N-butyl-1-[3-(methoxymethyl)benzoyl]-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-butyl-1-[3-(methoxymethyl)benzoyl]-6-methylpiperidine-3-carboxamide?
The canonical SMILES for N-butyl-1-[3-(methoxymethyl)benzoyl]-6-methylpiperidine-3-carboxamide is CCCCNC(=O)C1CCC(C)N(C(=O)c2cccc(COC)c2)C1.
What is the InChIKey of N-butyl-1-[3-(methoxymethyl)benzoyl]-6-methylpiperidine-3-carboxamide?
The InChIKey is GKMHEXOZISRRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-4-5-11-21-19(23)18-10-9-15(2)22(13-18)20(24)17-8-6-7-16(12-17)14-25-3/h6-8,12,15,18H,4-5,9-11,13-14H2,1-3H3,(H,21,23).
What are the key properties of N-butyl-1-[3-(methoxymethyl)benzoyl]-6-methylpiperidine-3-carboxamide?
N-butyl-1-[3-(methoxymethyl)benzoyl]-6-methylpiperidine-3-carboxamide has a molecular weight of 346.47 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-[3-(methoxymethyl)benzoyl]-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 51093171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).