N-methyl-N-[2-(4-methylphenoxy)ethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide

C27H30N2O3 — CID 41443867

IUPACN-methyl-N-[2-(4-methylphenoxy)ethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
SMILESCc1ccc(OCCN(C)C(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)cc1
InChIInChI=1S/C27H30N2O3/c1-20-10-12-23(13-11-20)32-19-18-28(2)26(30)22-14-16-29(17-15-22)27(31)25-9-5-7-21-6-3-4-8-24(21)25/h3-13,22H,14-19H2,1-2H3
InChIKeyRGOGRXAIWXIEQZ-UHFFFAOYSA-N
MW430.55 g/mol
LogP4.54
Rot. Bonds6

About N-methyl-N-[2-(4-methylphenoxy)ethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide

N-methyl-N-[2-(4-methylphenoxy)ethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide (PubChem CID 41443867) has the molecular formula C27H30N2O3 and a molecular weight of 430.55 g/mol. Its IUPAC name is N-methyl-N-[2-(4-methylphenoxy)ethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-(4-methylphenoxy)ethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
PubChem CID41443867
Molecular FormulaC27H30N2O3
Molecular Weight430.55 g/mol
Exact Mass430.23
IUPAC NameN-methyl-N-[2-(4-methylphenoxy)ethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
SMILESCc1ccc(OCCN(C)C(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)cc1
InChIInChI=1S/C27H30N2O3/c1-20-10-12-23(13-11-20)32-19-18-28(2)26(30)22-14-16-29(17-15-22)27(31)25-9-5-7-21-6-3-4-8-24(21)25/h3-13,22H,14-19H2,1-2H3
InChIKeyRGOGRXAIWXIEQZ-UHFFFAOYSA-N
XLogP4.54
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(4-methylphenoxy)ethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-methyl-N-[2-(4-methylphenoxy)ethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide (CID 41443867) is N-methyl-N-[2-(4-methylphenoxy)ethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-methyl-N-[2-(4-methylphenoxy)ethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-methyl-N-[2-(4-methylphenoxy)ethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide is Cc1ccc(OCCN(C)C(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)cc1.
What is the InChIKey of N-methyl-N-[2-(4-methylphenoxy)ethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide?
The InChIKey is RGOGRXAIWXIEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O3/c1-20-10-12-23(13-11-20)32-19-18-28(2)26(30)22-14-16-29(17-15-22)27(31)25-9-5-7-21-6-3-4-8-24(21)25/h3-13,22H,14-19H2,1-2H3.
What are the key properties of N-methyl-N-[2-(4-methylphenoxy)ethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide?
N-methyl-N-[2-(4-methylphenoxy)ethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide has a molecular weight of 430.55 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(4-methylphenoxy)ethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 41443867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).