2,2,2-trichloro-N-[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]acetamide

C16H21Cl3N2O2 — CID 133179595

IUPAC2,2,2-trichloro-N-[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]acetamide
SMILESCC1CCCN(CCOc2ccc(NC(=O)C(Cl)(Cl)Cl)cc2)C1
InChIInChI=1S/C16H21Cl3N2O2/c1-12-3-2-8-21(11-12)9-10-23-14-6-4-13(5-7-14)20-15(22)16(17,18)19/h4-7,12H,2-3,8-11H2,1H3,(H,20,22)
InChIKeyVGXPSCHHYXVIJR-UHFFFAOYSA-N
MW379.72 g/mol
LogP4.11
Rot. Bonds5

About 2,2,2-trichloro-N-[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]acetamide

2,2,2-trichloro-N-[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]acetamide (PubChem CID 133179595) has the molecular formula C16H21Cl3N2O2 and a molecular weight of 379.72 g/mol. Its IUPAC name is 2,2,2-trichloro-N-[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]acetamide.

Molecular Properties

Compound Name2,2,2-trichloro-N-[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]acetamide
PubChem CID133179595
Molecular FormulaC16H21Cl3N2O2
Molecular Weight379.72 g/mol
Exact Mass378.07
IUPAC Name2,2,2-trichloro-N-[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]acetamide
SMILESCC1CCCN(CCOc2ccc(NC(=O)C(Cl)(Cl)Cl)cc2)C1
InChIInChI=1S/C16H21Cl3N2O2/c1-12-3-2-8-21(11-12)9-10-23-14-6-4-13(5-7-14)20-15(22)16(17,18)19/h4-7,12H,2-3,8-11H2,1H3,(H,20,22)
InChIKeyVGXPSCHHYXVIJR-UHFFFAOYSA-N
XLogP4.11
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.72
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]-2-propoxypropanamide
CID 133246929
(2S)-2-methoxy-2-methyl-N-[4-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]phenyl]butanamide
CID 125060717
N-[4-[2-(azepan-1-yl)ethoxy]phenyl]-2,2,2-trichloroacetamide
CID 100689409
2-ethoxy-4-methyl-N-[4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]phenyl]-2-(2-methylpropyl)pentanamide
CID 100725916
(2S)-2-cyclopropyl-N-[4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]phenyl]-2-propoxypropanamide
CID 100717751
(2S)-2-methyl-N-[4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]phenyl]-2-propoxypentanamide
CID 100739829
2-ethoxy-2,4-dimethyl-N-[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]pentanamide
CID 133246561
(2R)-2-ethoxy-2,4-dimethyl-N-[4-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]phenyl]pentanamide
CID 125060296
(2S)-2-cyclopropyl-2-ethoxy-N-[4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]propanamide
CID 125061179
(2R)-2-methyl-N-[4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]-2-propoxypentanamide
CID 125060699
(2S)-2-methoxy-2-methyl-N-[4-[3-[(3R)-3-methylpiperidin-1-yl]propoxy]phenyl]heptanamide
CID 100702037
2-methyl-N-[4-[3-(3-methylpiperidin-1-yl)propoxy]phenyl]-2-propoxypentanamide
CID 133247084

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloro-N-[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]acetamide?
The IUPAC name of 2,2,2-trichloro-N-[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]acetamide (CID 133179595) is 2,2,2-trichloro-N-[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]acetamide.
What is the SMILES notation for 2,2,2-trichloro-N-[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]acetamide?
The canonical SMILES for 2,2,2-trichloro-N-[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]acetamide is CC1CCCN(CCOc2ccc(NC(=O)C(Cl)(Cl)Cl)cc2)C1.
What is the InChIKey of 2,2,2-trichloro-N-[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]acetamide?
The InChIKey is VGXPSCHHYXVIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl3N2O2/c1-12-3-2-8-21(11-12)9-10-23-14-6-4-13(5-7-14)20-15(22)16(17,18)19/h4-7,12H,2-3,8-11H2,1H3,(H,20,22).
What are the key properties of 2,2,2-trichloro-N-[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]acetamide?
2,2,2-trichloro-N-[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]acetamide has a molecular weight of 379.72 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloro-N-[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]acetamide is sourced from PubChem (CID 133179595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).