(2R)-2-(3,4-dimethylphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide

C22H28N2O2 — CID 95077718

IUPAC(2R)-2-(3,4-dimethylphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide
SMILESCc1ccc(O[C@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)cc1C
InChIInChI=1S/C22H28N2O2/c1-16-7-12-21(15-17(16)2)26-18(3)22(25)23-19-8-10-20(11-9-19)24-13-5-4-6-14-24/h7-12,15,18H,4-6,13-14H2,1-3H3,(H,23,25)/t18-/m1/s1
InChIKeyGNDAIHLGWKNCOB-GOSISDBHSA-N
MW352.48 g/mol
LogP4.70
Rot. Bonds5

About (2R)-2-(3,4-dimethylphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide

(2R)-2-(3,4-dimethylphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide (PubChem CID 95077718) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is (2R)-2-(3,4-dimethylphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(3,4-dimethylphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide
PubChem CID95077718
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name(2R)-2-(3,4-dimethylphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide
SMILESCc1ccc(O[C@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)cc1C
InChIInChI=1S/C22H28N2O2/c1-16-7-12-21(15-17(16)2)26-18(3)22(25)23-19-8-10-20(11-9-19)24-13-5-4-6-14-24/h7-12,15,18H,4-6,13-14H2,1-3H3,(H,23,25)/t18-/m1/s1
InChIKeyGNDAIHLGWKNCOB-GOSISDBHSA-N
XLogP4.70
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(4-methylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 133166686
(2S)-2-(3,5-dimethylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 100506199
(2S)-2-(3,5-dimethoxyphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide
CID 7550636
N-[4-(azepan-1-yl)phenyl]-2-(4-chlorophenoxy)propanamide
CID 18291163
2-(4-chlorophenoxy)-N-(4-piperidin-1-ylphenyl)propanamide
CID 18268297
2-(4-bromophenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 133166744
(2R)-2-(4-fluorophenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 8002204
2-phenoxy-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 51157992
(2R)-2-(2,5-dimethylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 100504761
2-(3,4-dimethylphenoxy)-N-(4-methylphenyl)propanamide
CID 53266277
2-(2-methylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 133166702
(2R)-2-(2-methoxyphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide
CID 7550758

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,4-dimethylphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide?
The IUPAC name of (2R)-2-(3,4-dimethylphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide (CID 95077718) is (2R)-2-(3,4-dimethylphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide.
What is the SMILES notation for (2R)-2-(3,4-dimethylphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide?
The canonical SMILES for (2R)-2-(3,4-dimethylphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide is Cc1ccc(O[C@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)cc1C.
What is the InChIKey of (2R)-2-(3,4-dimethylphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide?
The InChIKey is GNDAIHLGWKNCOB-GOSISDBHSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-16-7-12-21(15-17(16)2)26-18(3)22(25)23-19-8-10-20(11-9-19)24-13-5-4-6-14-24/h7-12,15,18H,4-6,13-14H2,1-3H3,(H,23,25)/t18-/m1/s1.
What are the key properties of (2R)-2-(3,4-dimethylphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide?
(2R)-2-(3,4-dimethylphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide has a molecular weight of 352.48 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,4-dimethylphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide is sourced from PubChem (CID 95077718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).