N-[5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-2-methylphenyl]acetamide

C21H23ClN2O3 — CID 166281479

IUPACN-[5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-2-methylphenyl]acetamide
SMILESCC(=O)Nc1cc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)ccc1C
InChIInChI=1S/C21H23ClN2O3/c1-14-3-4-16(13-20(14)23-15(2)25)21(26)24-11-9-19(10-12-24)27-18-7-5-17(22)6-8-18/h3-8,13,19H,9-12H2,1-2H3,(H,23,25)
InChIKeyANFQYSLYEABSEL-UHFFFAOYSA-N
MW386.88 g/mol
LogP4.29
Rot. Bonds4

About N-[5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-2-methylphenyl]acetamide

N-[5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-2-methylphenyl]acetamide (PubChem CID 166281479) has the molecular formula C21H23ClN2O3 and a molecular weight of 386.88 g/mol. Its IUPAC name is N-[5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-2-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-2-methylphenyl]acetamide
PubChem CID166281479
Molecular FormulaC21H23ClN2O3
Molecular Weight386.88 g/mol
Exact Mass386.14
IUPAC NameN-[5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-2-methylphenyl]acetamide
SMILESCC(=O)Nc1cc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)ccc1C
InChIInChI=1S/C21H23ClN2O3/c1-14-3-4-16(13-20(14)23-15(2)25)21(26)24-11-9-19(10-12-24)27-18-7-5-17(22)6-8-18/h3-8,13,19H,9-12H2,1-2H3,(H,23,25)
InChIKeyANFQYSLYEABSEL-UHFFFAOYSA-N
XLogP4.29
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-chlorophenoxy)piperidin-1-yl]-(3-hydroxy-4-methylphenyl)methanone
CID 67170194
2-[5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-2-methylphenoxy]acetamide
CID 67168923
(4-chlorophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396841
[4-(4-chlorophenoxy)piperidin-1-yl]-(4-hydroxyphenyl)methanone
CID 67170363
[4-(4-chlorophenoxy)piperidin-1-yl]-(1H-indazol-5-yl)methanone
CID 117073747
N-[5-[4-[(4-chlorophenyl)methyl]-1,4-diazepane-1-carbonyl]-2-methylphenyl]acetamide
CID 87034454
N-(4-acetamidobenzoyl)-4-(4-chlorophenoxy)piperidine-1-carboxamide
CID 68972565
[4-(3,4-difluorophenoxy)piperidin-1-yl]-(3,4-difluorophenyl)methanone
CID 84561785
[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396821
[4-(4-chlorophenoxy)piperidin-1-yl]-[6-(dimethylamino)-3-pyridinyl]methanone
CID 67169003
N-[[4-[4-(4-chlorophenoxy)piperidine-1-carbonyl]phenyl]methyl]-2,2-dimethylpropanamide
CID 67168820
2-[4-[4-(4-chlorophenoxy)piperidine-1-carbonyl]phenyl]acetonitrile
CID 166281533

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-2-methylphenyl]acetamide?
The IUPAC name of N-[5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-2-methylphenyl]acetamide (CID 166281479) is N-[5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-2-methylphenyl]acetamide.
What is the SMILES notation for N-[5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-2-methylphenyl]acetamide?
The canonical SMILES for N-[5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-2-methylphenyl]acetamide is CC(=O)Nc1cc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)ccc1C.
What is the InChIKey of N-[5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-2-methylphenyl]acetamide?
The InChIKey is ANFQYSLYEABSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O3/c1-14-3-4-16(13-20(14)23-15(2)25)21(26)24-11-9-19(10-12-24)27-18-7-5-17(22)6-8-18/h3-8,13,19H,9-12H2,1-2H3,(H,23,25).
What are the key properties of N-[5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-2-methylphenyl]acetamide?
N-[5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-2-methylphenyl]acetamide has a molecular weight of 386.88 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-2-methylphenyl]acetamide is sourced from PubChem (CID 166281479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).