N-[[4-[4-(4-chlorophenoxy)piperidine-1-carbonyl]phenyl]methyl]-2,2-dimethylpropanamide

C24H29ClN2O3 — CID 67168820

IUPACN-[[4-[4-(4-chlorophenoxy)piperidine-1-carbonyl]phenyl]methyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCc1ccc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C24H29ClN2O3/c1-24(2,3)23(29)26-16-17-4-6-18(7-5-17)22(28)27-14-12-21(13-15-27)30-20-10-8-19(25)9-11-20/h4-11,21H,12-16H2,1-3H3,(H,26,29)
InChIKeyRKAZKAPOKMTZPJ-UHFFFAOYSA-N
MW428.96 g/mol
LogP4.69
Rot. Bonds5

About N-[[4-[4-(4-chlorophenoxy)piperidine-1-carbonyl]phenyl]methyl]-2,2-dimethylpropanamide

N-[[4-[4-(4-chlorophenoxy)piperidine-1-carbonyl]phenyl]methyl]-2,2-dimethylpropanamide (PubChem CID 67168820) has the molecular formula C24H29ClN2O3 and a molecular weight of 428.96 g/mol. Its IUPAC name is N-[[4-[4-(4-chlorophenoxy)piperidine-1-carbonyl]phenyl]methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[[4-[4-(4-chlorophenoxy)piperidine-1-carbonyl]phenyl]methyl]-2,2-dimethylpropanamide
PubChem CID67168820
Molecular FormulaC24H29ClN2O3
Molecular Weight428.96 g/mol
Exact Mass428.19
IUPAC NameN-[[4-[4-(4-chlorophenoxy)piperidine-1-carbonyl]phenyl]methyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCc1ccc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C24H29ClN2O3/c1-24(2,3)23(29)26-16-17-4-6-18(7-5-17)22(28)27-14-12-21(13-15-27)30-20-10-8-19(25)9-11-20/h4-11,21H,12-16H2,1-3H3,(H,26,29)
InChIKeyRKAZKAPOKMTZPJ-UHFFFAOYSA-N
XLogP4.69
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.96
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chlorophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396841
2-[4-[4-(4-chlorophenoxy)piperidine-1-carbonyl]phenyl]acetonitrile
CID 166281533
N-[[4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]methyl]-2,2-dimethylpropanamide
CID 119622496
[4-(4-chlorophenoxy)piperidin-1-yl]-(4-hydroxyphenyl)methanone
CID 67170363
[4-[4-(4-fluorophenoxy)piperidine-1-carbonyl]phenyl]methylurea
CID 119133486
4-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-N-(2-methoxyethyl)-N-methylbenzamide
CID 67169499
4-[[[4-(4-methylphenoxy)piperidine-1-carbonyl]amino]methyl]benzoic acid
CID 122021103
[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396821
[4-(4-chlorophenoxy)piperidin-1-yl]-(3-hydroxy-4-methylphenyl)methanone
CID 67170194
N-[5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-2-methylphenyl]acetamide
CID 166281479
5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-N,N-dimethylpyridine-3-carboxamide
CID 166281531
[4-(4-chlorophenoxy)piperidin-1-yl]-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone
CID 67169308

Frequently Asked Questions

What is the IUPAC name of N-[[4-[4-(4-chlorophenoxy)piperidine-1-carbonyl]phenyl]methyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[[4-[4-(4-chlorophenoxy)piperidine-1-carbonyl]phenyl]methyl]-2,2-dimethylpropanamide (CID 67168820) is N-[[4-[4-(4-chlorophenoxy)piperidine-1-carbonyl]phenyl]methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[[4-[4-(4-chlorophenoxy)piperidine-1-carbonyl]phenyl]methyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[[4-[4-(4-chlorophenoxy)piperidine-1-carbonyl]phenyl]methyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCc1ccc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of N-[[4-[4-(4-chlorophenoxy)piperidine-1-carbonyl]phenyl]methyl]-2,2-dimethylpropanamide?
The InChIKey is RKAZKAPOKMTZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN2O3/c1-24(2,3)23(29)26-16-17-4-6-18(7-5-17)22(28)27-14-12-21(13-15-27)30-20-10-8-19(25)9-11-20/h4-11,21H,12-16H2,1-3H3,(H,26,29).
What are the key properties of N-[[4-[4-(4-chlorophenoxy)piperidine-1-carbonyl]phenyl]methyl]-2,2-dimethylpropanamide?
N-[[4-[4-(4-chlorophenoxy)piperidine-1-carbonyl]phenyl]methyl]-2,2-dimethylpropanamide has a molecular weight of 428.96 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[4-(4-chlorophenoxy)piperidine-1-carbonyl]phenyl]methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 67168820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).