N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]naphthalene-1-carboxamide

C24H23ClN2O3 — CID 108554046

IUPACN-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]naphthalene-1-carboxamide
SMILESO=C(NC1CCN(C(=O)COc2ccc(Cl)cc2)CC1)c1cccc2ccccc12
InChIInChI=1S/C24H23ClN2O3/c25-18-8-10-20(11-9-18)30-16-23(28)27-14-12-19(13-15-27)26-24(29)22-7-3-5-17-4-1-2-6-21(17)22/h1-11,19H,12-16H2,(H,26,29)
InChIKeyDDJFLCBLQXOLRI-UHFFFAOYSA-N
MW422.91 g/mol
LogP4.29
Rot. Bonds5

About N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]naphthalene-1-carboxamide

N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]naphthalene-1-carboxamide (PubChem CID 108554046) has the molecular formula C24H23ClN2O3 and a molecular weight of 422.91 g/mol. Its IUPAC name is N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]naphthalene-1-carboxamide
PubChem CID108554046
Molecular FormulaC24H23ClN2O3
Molecular Weight422.91 g/mol
Exact Mass422.14
IUPAC NameN-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]naphthalene-1-carboxamide
SMILESO=C(NC1CCN(C(=O)COc2ccc(Cl)cc2)CC1)c1cccc2ccccc12
InChIInChI=1S/C24H23ClN2O3/c25-18-8-10-20(11-9-18)30-16-23(28)27-14-12-19(13-15-27)26-24(29)22-7-3-5-17-4-1-2-6-21(17)22/h1-11,19H,12-16H2,(H,26,29)
InChIKeyDDJFLCBLQXOLRI-UHFFFAOYSA-N
XLogP4.29
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.91
LogP ≤ 54.29
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-chlorophenyl)acetyl]piperidin-4-yl]naphthalene-1-carboxamide
CID 108561362
N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]naphthalene-1-carboxamide
CID 108554034
N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-2,6-dimethoxybenzamide
CID 108549791
N-[1-(naphthalene-1-carbonyl)piperidin-4-yl]naphthalene-1-carboxamide
CID 108554043
3,4-dichloro-N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]benzamide
CID 108549019
methyl 4-(naphthalene-1-carbonylamino)piperidine-1-carboxylate
CID 108561371
1-[2-(4-chlorophenoxy)acetyl]-N-cyclopropylpiperidine-4-carboxamide
CID 113002538
N-[1-(3-phenylpropanoyl)piperidin-4-yl]naphthalene-1-carboxamide
CID 108554058
N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-2-ethylbutanamide
CID 108555618
N-[1-(2-fluorobenzoyl)piperidin-4-yl]naphthalene-1-carboxamide
CID 108553997
N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]-2-fluorobenzamide
CID 99468805

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]naphthalene-1-carboxamide?
The IUPAC name of N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]naphthalene-1-carboxamide (CID 108554046) is N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]naphthalene-1-carboxamide?
The canonical SMILES for N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]naphthalene-1-carboxamide is O=C(NC1CCN(C(=O)COc2ccc(Cl)cc2)CC1)c1cccc2ccccc12.
What is the InChIKey of N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]naphthalene-1-carboxamide?
The InChIKey is DDJFLCBLQXOLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O3/c25-18-8-10-20(11-9-18)30-16-23(28)27-14-12-19(13-15-27)26-24(29)22-7-3-5-17-4-1-2-6-21(17)22/h1-11,19H,12-16H2,(H,26,29).
What are the key properties of N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]naphthalene-1-carboxamide?
N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]naphthalene-1-carboxamide has a molecular weight of 422.91 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]naphthalene-1-carboxamide is sourced from PubChem (CID 108554046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).