2-(3-chlorophenoxy)-N-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]acetamide

C22H24ClN3O2 — CID 44562416

IUPAC2-(3-chlorophenoxy)-N-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]acetamide
SMILESO=C(COc1cccc(Cl)c1)NC1CCN(Cc2ccc3[nH]ccc3c2)CC1
InChIInChI=1S/C22H24ClN3O2/c23-18-2-1-3-20(13-18)28-15-22(27)25-19-7-10-26(11-8-19)14-16-4-5-21-17(12-16)6-9-24-21/h1-6,9,12-13,19,24H,7-8,10-11,14-15H2,(H,25,27)
InChIKeyUWLYGOUWVQJEGP-UHFFFAOYSA-N
MW397.91 g/mol
LogP3.98
Rot. Bonds6

About 2-(3-chlorophenoxy)-N-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]acetamide

2-(3-chlorophenoxy)-N-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]acetamide (PubChem CID 44562416) has the molecular formula C22H24ClN3O2 and a molecular weight of 397.91 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]acetamide
PubChem CID44562416
Molecular FormulaC22H24ClN3O2
Molecular Weight397.91 g/mol
Exact Mass397.16
IUPAC Name2-(3-chlorophenoxy)-N-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]acetamide
SMILESO=C(COc1cccc(Cl)c1)NC1CCN(Cc2ccc3[nH]ccc3c2)CC1
InChIInChI=1S/C22H24ClN3O2/c23-18-2-1-3-20(13-18)28-15-22(27)25-19-7-10-26(11-8-19)14-16-4-5-21-17(12-16)6-9-24-21/h1-6,9,12-13,19,24H,7-8,10-11,14-15H2,(H,25,27)
InChIKeyUWLYGOUWVQJEGP-UHFFFAOYSA-N
XLogP3.98
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(3-chlorophenoxy)-N-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-chlorophenoxy)-N-(4-hydroxycyclohexyl)acetamide
CID 43388716
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(3,4-dichlorophenoxy)acetamide
CID 46596758
4-[[2-(3-chlorophenoxy)acetyl]amino]cyclohexane-1-carboxylic acid
CID 60810176
N-cycloheptyl-2-(1H-indol-5-yl)acetamide
CID 84577573
N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-2-pyrimidin-2-yloxyacetamide
CID 22396240
2-(2-bromo-4-chlorophenoxy)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]acetamide
CID 24504200
2-(2,5-dichlorophenoxy)-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]acetamide
CID 60550321
N-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-2-(4-phenylphenoxy)acetamide
CID 165094374
N-[(4S,5S)-5-hydroxy-1-(1H-indol-5-ylmethyl)azepan-4-yl]acetamide
CID 110126935
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 55847982
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(2-fluorophenoxy)acetamide
CID 8590108
N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-2-(4-pyridin-2-yloxyphenoxy)acetamide
CID 75370235

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]acetamide (CID 44562416) is 2-(3-chlorophenoxy)-N-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]acetamide is O=C(COc1cccc(Cl)c1)NC1CCN(Cc2ccc3[nH]ccc3c2)CC1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]acetamide?
The InChIKey is UWLYGOUWVQJEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O2/c23-18-2-1-3-20(13-18)28-15-22(27)25-19-7-10-26(11-8-19)14-16-4-5-21-17(12-16)6-9-24-21/h1-6,9,12-13,19,24H,7-8,10-11,14-15H2,(H,25,27).
What are the key properties of 2-(3-chlorophenoxy)-N-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]acetamide?
2-(3-chlorophenoxy)-N-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]acetamide has a molecular weight of 397.91 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 44562416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).