N-(4-butoxyphenyl)-N-methyl-2-(4-methylpiperidin-4-yl)acetamide

C19H30N2O2 — CID 21300933

IUPACN-(4-butoxyphenyl)-N-methyl-2-(4-methylpiperidin-4-yl)acetamide
SMILESCCCCOc1ccc(N(C)C(=O)CC2(C)CCNCC2)cc1
InChIInChI=1S/C19H30N2O2/c1-4-5-14-23-17-8-6-16(7-9-17)21(3)18(22)15-19(2)10-12-20-13-11-19/h6-9,20H,4-5,10-15H2,1-3H3
InChIKeyMRBOZOOWSHZHMO-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.61
Rot. Bonds7

About N-(4-butoxyphenyl)-N-methyl-2-(4-methylpiperidin-4-yl)acetamide

N-(4-butoxyphenyl)-N-methyl-2-(4-methylpiperidin-4-yl)acetamide (PubChem CID 21300933) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is N-(4-butoxyphenyl)-N-methyl-2-(4-methylpiperidin-4-yl)acetamide.

Molecular Properties

Compound NameN-(4-butoxyphenyl)-N-methyl-2-(4-methylpiperidin-4-yl)acetamide
PubChem CID21300933
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC NameN-(4-butoxyphenyl)-N-methyl-2-(4-methylpiperidin-4-yl)acetamide
SMILESCCCCOc1ccc(N(C)C(=O)CC2(C)CCNCC2)cc1
InChIInChI=1S/C19H30N2O2/c1-4-5-14-23-17-8-6-16(7-9-17)21(3)18(22)15-19(2)10-12-20-13-11-19/h6-9,20H,4-5,10-15H2,1-3H3
InChIKeyMRBOZOOWSHZHMO-UHFFFAOYSA-N
XLogP3.61
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.61
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

4-[2-(4-butoxy-N-methylanilino)-1-methoxyethyl]piperidin-4-ol
CID 21300791
N-[4-(3-aminopropoxy)phenyl]-N-methylpropanamide
CID 28755910
3-amino-N-methyl-N-(4-propoxyphenyl)propanamide
CID 98784032
N-methyl-N-[4-(4-octoxy-N-(4-octoxyphenyl)anilino)phenyl]acetamide
CID 102225702
N-methyl-2-(methylamino)-N-(4-propoxyphenyl)acetamide
CID 98784031
N-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]hexanamide
CID 70058532
N-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-N-methylhexanamide
CID 70067011
N-methyl-N-(4-octoxyphenyl)prop-2-enamide
CID 134245809
N-(azetidin-3-yl)-4-butoxy-N-methylbenzamide
CID 66185454
N-(4-aminophenyl)-2-(4-fluorophenoxy)-N-methylacetamide
CID 43376484
3-(4-ethoxy-N-methylanilino)-3-oxopropanoic acid
CID 115163301
N-butyl-4-(4-fluorophenoxy)-N-methylbutanamide
CID 110487595

Frequently Asked Questions

What is the IUPAC name of N-(4-butoxyphenyl)-N-methyl-2-(4-methylpiperidin-4-yl)acetamide?
The IUPAC name of N-(4-butoxyphenyl)-N-methyl-2-(4-methylpiperidin-4-yl)acetamide (CID 21300933) is N-(4-butoxyphenyl)-N-methyl-2-(4-methylpiperidin-4-yl)acetamide.
What is the SMILES notation for N-(4-butoxyphenyl)-N-methyl-2-(4-methylpiperidin-4-yl)acetamide?
The canonical SMILES for N-(4-butoxyphenyl)-N-methyl-2-(4-methylpiperidin-4-yl)acetamide is CCCCOc1ccc(N(C)C(=O)CC2(C)CCNCC2)cc1.
What is the InChIKey of N-(4-butoxyphenyl)-N-methyl-2-(4-methylpiperidin-4-yl)acetamide?
The InChIKey is MRBOZOOWSHZHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-4-5-14-23-17-8-6-16(7-9-17)21(3)18(22)15-19(2)10-12-20-13-11-19/h6-9,20H,4-5,10-15H2,1-3H3.
What are the key properties of N-(4-butoxyphenyl)-N-methyl-2-(4-methylpiperidin-4-yl)acetamide?
N-(4-butoxyphenyl)-N-methyl-2-(4-methylpiperidin-4-yl)acetamide has a molecular weight of 318.46 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butoxyphenyl)-N-methyl-2-(4-methylpiperidin-4-yl)acetamide is sourced from PubChem (CID 21300933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).