2-(4-chlorophenoxy)-N-[4-[(3R)-3-methoxypiperidin-1-yl]phenyl]acetamide

C20H23ClN2O3 — CID 97427785

IUPAC2-(4-chlorophenoxy)-N-[4-[(3R)-3-methoxypiperidin-1-yl]phenyl]acetamide
SMILESCO[C@@H]1CCCN(c2ccc(NC(=O)COc3ccc(Cl)cc3)cc2)C1
InChIInChI=1S/C20H23ClN2O3/c1-25-19-3-2-12-23(13-19)17-8-6-16(7-9-17)22-20(24)14-26-18-10-4-15(21)5-11-18/h4-11,19H,2-3,12-14H2,1H3,(H,22,24)/t19-/m1/s1
InChIKeyKZPGJPAGSAHSIO-LJQANCHMSA-N
MW374.87 g/mol
LogP3.97
Rot. Bonds6

About 2-(4-chlorophenoxy)-N-[4-[(3R)-3-methoxypiperidin-1-yl]phenyl]acetamide

2-(4-chlorophenoxy)-N-[4-[(3R)-3-methoxypiperidin-1-yl]phenyl]acetamide (PubChem CID 97427785) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[4-[(3R)-3-methoxypiperidin-1-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[4-[(3R)-3-methoxypiperidin-1-yl]phenyl]acetamide
PubChem CID97427785
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC Name2-(4-chlorophenoxy)-N-[4-[(3R)-3-methoxypiperidin-1-yl]phenyl]acetamide
SMILESCO[C@@H]1CCCN(c2ccc(NC(=O)COc3ccc(Cl)cc3)cc2)C1
InChIInChI=1S/C20H23ClN2O3/c1-25-19-3-2-12-23(13-19)17-8-6-16(7-9-17)22-20(24)14-26-18-10-4-15(21)5-11-18/h4-11,19H,2-3,12-14H2,1H3,(H,22,24)/t19-/m1/s1
InChIKeyKZPGJPAGSAHSIO-LJQANCHMSA-N
XLogP3.97
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-ethoxyphenoxy)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
CID 121141474
2-(4-fluorophenoxy)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
CID 121141438
2-(2,4-dichlorophenoxy)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
CID 121141679
2-methoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
CID 121141493
2-(4-chlorophenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 822273
2-(2-methoxyphenoxy)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
CID 121141457
2-(4-acetamidophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
CID 121141569
(E)-3-(4-chlorophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]prop-2-enamide
CID 121141603
2-(4-chlorophenoxy)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-2-methylpropanamide
CID 90595323
N-[4-(3-methoxypiperidin-1-yl)phenyl]-3-(4-phenylmethoxyphenyl)propanamide
CID 121141530
2-(4-fluorophenyl)-N-[4-[(3S)-3-methoxypiperidin-1-yl]phenyl]acetamide
CID 97427776
2-(2,5-dioxopyrrolidin-1-yl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
CID 71809763

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[4-[(3R)-3-methoxypiperidin-1-yl]phenyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[4-[(3R)-3-methoxypiperidin-1-yl]phenyl]acetamide (CID 97427785) is 2-(4-chlorophenoxy)-N-[4-[(3R)-3-methoxypiperidin-1-yl]phenyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[4-[(3R)-3-methoxypiperidin-1-yl]phenyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[4-[(3R)-3-methoxypiperidin-1-yl]phenyl]acetamide is CO[C@@H]1CCCN(c2ccc(NC(=O)COc3ccc(Cl)cc3)cc2)C1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[4-[(3R)-3-methoxypiperidin-1-yl]phenyl]acetamide?
The InChIKey is KZPGJPAGSAHSIO-LJQANCHMSA-N. The full InChI is InChI=1S/C20H23ClN2O3/c1-25-19-3-2-12-23(13-19)17-8-6-16(7-9-17)22-20(24)14-26-18-10-4-15(21)5-11-18/h4-11,19H,2-3,12-14H2,1H3,(H,22,24)/t19-/m1/s1.
What are the key properties of 2-(4-chlorophenoxy)-N-[4-[(3R)-3-methoxypiperidin-1-yl]phenyl]acetamide?
2-(4-chlorophenoxy)-N-[4-[(3R)-3-methoxypiperidin-1-yl]phenyl]acetamide has a molecular weight of 374.87 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[4-[(3R)-3-methoxypiperidin-1-yl]phenyl]acetamide is sourced from PubChem (CID 97427785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).