1-acetyl-N-[4-(4-chlorophenoxy)phenyl]piperidine-4-carboxamide

C20H21ClN2O3 — CID 6468150

IUPAC1-acetyl-N-[4-(4-chlorophenoxy)phenyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)CC1
InChIInChI=1S/C20H21ClN2O3/c1-14(24)23-12-10-15(11-13-23)20(25)22-17-4-8-19(9-5-17)26-18-6-2-16(21)3-7-18/h2-9,15H,10-13H2,1H3,(H,22,25)
InChIKeyNTFGQRUUMQOETH-UHFFFAOYSA-N
MW372.85 g/mol
LogP4.33
Rot. Bonds4

About 1-acetyl-N-[4-(4-chlorophenoxy)phenyl]piperidine-4-carboxamide

1-acetyl-N-[4-(4-chlorophenoxy)phenyl]piperidine-4-carboxamide (PubChem CID 6468150) has the molecular formula C20H21ClN2O3 and a molecular weight of 372.85 g/mol. Its IUPAC name is 1-acetyl-N-[4-(4-chlorophenoxy)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[4-(4-chlorophenoxy)phenyl]piperidine-4-carboxamide
PubChem CID6468150
Molecular FormulaC20H21ClN2O3
Molecular Weight372.85 g/mol
Exact Mass372.12
IUPAC Name1-acetyl-N-[4-(4-chlorophenoxy)phenyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)CC1
InChIInChI=1S/C20H21ClN2O3/c1-14(24)23-12-10-15(11-13-23)20(25)22-17-4-8-19(9-5-17)26-18-6-2-16(21)3-7-18/h2-9,15H,10-13H2,1H3,(H,22,25)
InChIKeyNTFGQRUUMQOETH-UHFFFAOYSA-N
XLogP4.33
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.85
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-chlorophenyl)carbamoyl]piperidine-1-carboxylic acid
CID 66651371
1-(1-acetylpiperidin-4-yl)-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 42693365
1-[(4-chlorophenyl)methyl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide
CID 45022180
1-acetyl-N-(4-phenoxyphenyl)azetidine-3-carboxamide
CID 90511634
1-acetyl-N-(4-hexoxyphenyl)piperidine-4-carboxamide
CID 108792203
1-(1-acetylpiperidin-4-yl)-N-(4-methylphenyl)piperidine-4-carboxamide
CID 42881192
N-(4-chlorophenyl)-1-(oxane-4-carbonyl)piperidine-4-carboxamide
CID 113007205
N-(4-chlorophenyl)-1-pentanoylpiperidine-4-carboxamide
CID 113007176
methyl 5-[(1-acetylpiperidine-4-carbonyl)amino]-2-chlorobenzoate
CID 34160565
N-[4-(4-chlorophenoxy)phenyl]-3-(dimethylamino)pyrrolidine-1-carboxamide
CID 72916566
1-(4-chlorobenzoyl)-N-[4-(4-methylphenoxy)phenyl]piperidine-3-carboxamide
CID 4202434
1-acetyl-N-(4-nitrophenyl)piperidine-4-carboxamide
CID 108792167

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[4-(4-chlorophenoxy)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-[4-(4-chlorophenoxy)phenyl]piperidine-4-carboxamide (CID 6468150) is 1-acetyl-N-[4-(4-chlorophenoxy)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-[4-(4-chlorophenoxy)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-[4-(4-chlorophenoxy)phenyl]piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)CC1.
What is the InChIKey of 1-acetyl-N-[4-(4-chlorophenoxy)phenyl]piperidine-4-carboxamide?
The InChIKey is NTFGQRUUMQOETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O3/c1-14(24)23-12-10-15(11-13-23)20(25)22-17-4-8-19(9-5-17)26-18-6-2-16(21)3-7-18/h2-9,15H,10-13H2,1H3,(H,22,25).
What are the key properties of 1-acetyl-N-[4-(4-chlorophenoxy)phenyl]piperidine-4-carboxamide?
1-acetyl-N-[4-(4-chlorophenoxy)phenyl]piperidine-4-carboxamide has a molecular weight of 372.85 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[4-(4-chlorophenoxy)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 6468150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).