N-[(4-ethoxyphenyl)methyl]-N-methyl-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide

C27H30N2O3 — CID 24546594

IUPACN-[(4-ethoxyphenyl)methyl]-N-methyl-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
SMILESCCOc1ccc(CN(C)C(=O)C2CCCN(C(=O)c3cccc4ccccc34)C2)cc1
InChIInChI=1S/C27H30N2O3/c1-3-32-23-15-13-20(14-16-23)18-28(2)26(30)22-10-7-17-29(19-22)27(31)25-12-6-9-21-8-4-5-11-24(21)25/h4-6,8-9,11-16,22H,3,7,10,17-19H2,1-2H3
InChIKeyWNIOKRGRKNKNOX-UHFFFAOYSA-N
MW430.55 g/mol
LogP4.75
Rot. Bonds6

About N-[(4-ethoxyphenyl)methyl]-N-methyl-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide

N-[(4-ethoxyphenyl)methyl]-N-methyl-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide (PubChem CID 24546594) has the molecular formula C27H30N2O3 and a molecular weight of 430.55 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-N-methyl-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]-N-methyl-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
PubChem CID24546594
Molecular FormulaC27H30N2O3
Molecular Weight430.55 g/mol
Exact Mass430.23
IUPAC NameN-[(4-ethoxyphenyl)methyl]-N-methyl-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
SMILESCCOc1ccc(CN(C)C(=O)C2CCCN(C(=O)c3cccc4ccccc34)C2)cc1
InChIInChI=1S/C27H30N2O3/c1-3-32-23-15-13-20(14-16-23)18-28(2)26(30)22-10-7-17-29(19-22)27(31)25-12-6-9-21-8-4-5-11-24(21)25/h4-6,8-9,11-16,22H,3,7,10,17-19H2,1-2H3
InChIKeyWNIOKRGRKNKNOX-UHFFFAOYSA-N
XLogP4.75
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 ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-N-methyl-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]-N-methyl-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide (CID 24546594) is N-[(4-ethoxyphenyl)methyl]-N-methyl-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-N-methyl-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-N-methyl-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide is CCOc1ccc(CN(C)C(=O)C2CCCN(C(=O)c3cccc4ccccc34)C2)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-N-methyl-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide?
The InChIKey is WNIOKRGRKNKNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O3/c1-3-32-23-15-13-20(14-16-23)18-28(2)26(30)22-10-7-17-29(19-22)27(31)25-12-6-9-21-8-4-5-11-24(21)25/h4-6,8-9,11-16,22H,3,7,10,17-19H2,1-2H3.
What are the key properties of N-[(4-ethoxyphenyl)methyl]-N-methyl-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide?
N-[(4-ethoxyphenyl)methyl]-N-methyl-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide has a molecular weight of 430.55 g/mol, XLogP of 4.75, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]-N-methyl-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 24546594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).