2-(4-chlorophenoxy)-1-[4-(1H-indole-3-carbonyl)piperidin-1-yl]ethanone

C22H21ClN2O3 — CID 110643500

IUPAC2-(4-chlorophenoxy)-1-[4-(1H-indole-3-carbonyl)piperidin-1-yl]ethanone
SMILESO=C(c1c[nH]c2ccccc12)C1CCN(C(=O)COc2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H21ClN2O3/c23-16-5-7-17(8-6-16)28-14-21(26)25-11-9-15(10-12-25)22(27)19-13-24-20-4-2-1-3-18(19)20/h1-8,13,15,24H,9-12,14H2
InChIKeyBHZMLHFJZUTXOP-UHFFFAOYSA-N
MW396.87 g/mol
LogP4.32
Rot. Bonds5

About 2-(4-chlorophenoxy)-1-[4-(1H-indole-3-carbonyl)piperidin-1-yl]ethanone

2-(4-chlorophenoxy)-1-[4-(1H-indole-3-carbonyl)piperidin-1-yl]ethanone (PubChem CID 110643500) has the molecular formula C22H21ClN2O3 and a molecular weight of 396.87 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1-[4-(1H-indole-3-carbonyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1-[4-(1H-indole-3-carbonyl)piperidin-1-yl]ethanone
PubChem CID110643500
Molecular FormulaC22H21ClN2O3
Molecular Weight396.87 g/mol
Exact Mass396.12
IUPAC Name2-(4-chlorophenoxy)-1-[4-(1H-indole-3-carbonyl)piperidin-1-yl]ethanone
SMILESO=C(c1c[nH]c2ccccc12)C1CCN(C(=O)COc2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H21ClN2O3/c23-16-5-7-17(8-6-16)28-14-21(26)25-11-9-15(10-12-25)22(27)19-13-24-20-4-2-1-3-18(19)20/h1-8,13,15,24H,9-12,14H2
InChIKeyBHZMLHFJZUTXOP-UHFFFAOYSA-N
XLogP4.32
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.87
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenoxy)-1-[3-(1H-indol-3-yl)pyrrolidin-1-yl]ethanone
CID 113087756
1-[4-(4-chlorobenzoyl)piperidin-1-yl]-2-phenoxyethanone
CID 110394316
3-(4-chlorophenoxy)-1-[4-(1H-indol-3-yl)piperidin-1-yl]propan-1-one
CID 55910561
cyclopropyl(1H-indol-3-yl)methanone
CID 965839
benzyl 4-(1H-indole-3-carbonyl)piperidine-1-carboxylate
CID 110643516
N,N-diethyl-4-(1H-indole-3-carbonyl)piperidine-1-carboxamide
CID 110643519
cyclopentyl(1H-indol-3-yl)methanone
CID 14069740
N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]naphthalene-1-carboxamide
CID 108554046
1-[2-(4-chlorophenoxy)acetyl]-N-cyclopropylpiperidine-4-carboxamide
CID 113002538
2-(4-chlorophenoxy)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 110868491
5-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]-1H-indole-3-carboxylic acid
CID 22265170
2-(4-chlorophenoxy)-1-(4-pyrimidin-2-yloxypiperidin-1-yl)ethanone
CID 90558704

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1-[4-(1H-indole-3-carbonyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-chlorophenoxy)-1-[4-(1H-indole-3-carbonyl)piperidin-1-yl]ethanone (CID 110643500) is 2-(4-chlorophenoxy)-1-[4-(1H-indole-3-carbonyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-chlorophenoxy)-1-[4-(1H-indole-3-carbonyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-chlorophenoxy)-1-[4-(1H-indole-3-carbonyl)piperidin-1-yl]ethanone is O=C(c1c[nH]c2ccccc12)C1CCN(C(=O)COc2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-(4-chlorophenoxy)-1-[4-(1H-indole-3-carbonyl)piperidin-1-yl]ethanone?
The InChIKey is BHZMLHFJZUTXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O3/c23-16-5-7-17(8-6-16)28-14-21(26)25-11-9-15(10-12-25)22(27)19-13-24-20-4-2-1-3-18(19)20/h1-8,13,15,24H,9-12,14H2.
What are the key properties of 2-(4-chlorophenoxy)-1-[4-(1H-indole-3-carbonyl)piperidin-1-yl]ethanone?
2-(4-chlorophenoxy)-1-[4-(1H-indole-3-carbonyl)piperidin-1-yl]ethanone has a molecular weight of 396.87 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-1-[4-(1H-indole-3-carbonyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 110643500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).