N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]naphthalene-1-carboxamide

C27H30N2O3 — CID 108554034

IUPACN-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]naphthalene-1-carboxamide
SMILESCc1ccc(C)c(OCC(=O)N2CCC(NC(=O)c3cccc4ccccc34)CC2)c1C
InChIInChI=1S/C27H30N2O3/c1-18-11-12-19(2)26(20(18)3)32-17-25(30)29-15-13-22(14-16-29)28-27(31)24-10-6-8-21-7-4-5-9-23(21)24/h4-12,22H,13-17H2,1-3H3,(H,28,31)
InChIKeyOODHMUBZALBMRE-UHFFFAOYSA-N
MW430.55 g/mol
LogP4.56
Rot. Bonds5

About N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]naphthalene-1-carboxamide

N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]naphthalene-1-carboxamide (PubChem CID 108554034) has the molecular formula C27H30N2O3 and a molecular weight of 430.55 g/mol. Its IUPAC name is N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]naphthalene-1-carboxamide
PubChem CID108554034
Molecular FormulaC27H30N2O3
Molecular Weight430.55 g/mol
Exact Mass430.23
IUPAC NameN-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]naphthalene-1-carboxamide
SMILESCc1ccc(C)c(OCC(=O)N2CCC(NC(=O)c3cccc4ccccc34)CC2)c1C
InChIInChI=1S/C27H30N2O3/c1-18-11-12-19(2)26(20(18)3)32-17-25(30)29-15-13-22(14-16-29)28-27(31)24-10-6-8-21-7-4-5-9-23(21)24/h4-12,22H,13-17H2,1-3H3,(H,28,31)
InChIKeyOODHMUBZALBMRE-UHFFFAOYSA-N
XLogP4.56
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]naphthalene-1-carboxamide
CID 108554067
N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]naphthalene-1-carboxamide
CID 108554046
2-methyl-N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]propanamide
CID 108558496
methyl 4-(naphthalene-1-carbonylamino)piperidine-1-carboxylate
CID 108561371
N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]-2-methoxybenzamide
CID 108549210
4-(trifluoromethyl)-N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108558559
N-[1-(naphthalene-1-carbonyl)piperidin-4-yl]naphthalene-1-carboxamide
CID 108554043
2-methylpropyl N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]carbamate
CID 108565236
2-(4-chlorophenyl)-N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108565232
N-[1-(2-phenylacetyl)piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide
CID 108553233
N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide
CID 108553275
N-[1-(3-phenylpropanoyl)piperidin-4-yl]naphthalene-1-carboxamide
CID 108554058

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]naphthalene-1-carboxamide?
The IUPAC name of N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]naphthalene-1-carboxamide (CID 108554034) is N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]naphthalene-1-carboxamide?
The canonical SMILES for N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]naphthalene-1-carboxamide is Cc1ccc(C)c(OCC(=O)N2CCC(NC(=O)c3cccc4ccccc34)CC2)c1C.
What is the InChIKey of N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]naphthalene-1-carboxamide?
The InChIKey is OODHMUBZALBMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O3/c1-18-11-12-19(2)26(20(18)3)32-17-25(30)29-15-13-22(14-16-29)28-27(31)24-10-6-8-21-7-4-5-9-23(21)24/h4-12,22H,13-17H2,1-3H3,(H,28,31).
What are the key properties of N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]naphthalene-1-carboxamide?
N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]naphthalene-1-carboxamide has a molecular weight of 430.55 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]naphthalene-1-carboxamide is sourced from PubChem (CID 108554034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).