3-(4-chlorophenoxy)-1-[4-(1H-indol-3-yl)piperidin-1-yl]propan-1-one

C22H23ClN2O2 — CID 55910561

IUPAC3-(4-chlorophenoxy)-1-[4-(1H-indol-3-yl)piperidin-1-yl]propan-1-one
SMILESO=C(CCOc1ccc(Cl)cc1)N1CCC(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C22H23ClN2O2/c23-17-5-7-18(8-6-17)27-14-11-22(26)25-12-9-16(10-13-25)20-15-24-21-4-2-1-3-19(20)21/h1-8,15-16,24H,9-14H2
InChIKeyHQBCFLPWKPNWRW-UHFFFAOYSA-N
MW382.89 g/mol
LogP5.00
Rot. Bonds5

About 3-(4-chlorophenoxy)-1-[4-(1H-indol-3-yl)piperidin-1-yl]propan-1-one

3-(4-chlorophenoxy)-1-[4-(1H-indol-3-yl)piperidin-1-yl]propan-1-one (PubChem CID 55910561) has the molecular formula C22H23ClN2O2 and a molecular weight of 382.89 g/mol. Its IUPAC name is 3-(4-chlorophenoxy)-1-[4-(1H-indol-3-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(4-chlorophenoxy)-1-[4-(1H-indol-3-yl)piperidin-1-yl]propan-1-one
PubChem CID55910561
Molecular FormulaC22H23ClN2O2
Molecular Weight382.89 g/mol
Exact Mass382.14
IUPAC Name3-(4-chlorophenoxy)-1-[4-(1H-indol-3-yl)piperidin-1-yl]propan-1-one
SMILESO=C(CCOc1ccc(Cl)cc1)N1CCC(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C22H23ClN2O2/c23-17-5-7-18(8-6-17)27-14-11-22(26)25-12-9-16(10-13-25)20-15-24-21-4-2-1-3-19(20)21/h1-8,15-16,24H,9-14H2
InChIKeyHQBCFLPWKPNWRW-UHFFFAOYSA-N
XLogP5.00
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.89
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(1H-indol-3-yl)pyrrolidin-1-yl]-3-phenoxypropan-1-one
CID 110711034
2-(4-chlorophenoxy)-1-[3-(1H-indol-3-yl)pyrrolidin-1-yl]ethanone
CID 113087756
1-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-3-phenylpropan-1-one
CID 113087483
2-(4-chlorophenoxy)-1-[4-(1H-indole-3-carbonyl)piperidin-1-yl]ethanone
CID 110643500
1-(4-aminopiperidin-1-yl)-3-(4-chlorophenoxy)propan-1-one;hydrochloride
CID 119373511
2-(4-fluorophenyl)-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone
CID 84559815
1-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-[4-(1H-indol-3-yl)piperidin-1-yl]butane-1,4-dione
CID 56564514
3-[3-[4-(1H-indol-3-yl)piperidin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one
CID 24609034
1-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]-3-phenoxypropan-1-one
CID 110397481
1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-3-(4-chlorophenoxy)propan-1-one
CID 55704465
N-[2-(1H-indol-3-yl)ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 60520759
1-[4-(1H-indol-3-yl)piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 155248386

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenoxy)-1-[4-(1H-indol-3-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(4-chlorophenoxy)-1-[4-(1H-indol-3-yl)piperidin-1-yl]propan-1-one (CID 55910561) is 3-(4-chlorophenoxy)-1-[4-(1H-indol-3-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(4-chlorophenoxy)-1-[4-(1H-indol-3-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(4-chlorophenoxy)-1-[4-(1H-indol-3-yl)piperidin-1-yl]propan-1-one is O=C(CCOc1ccc(Cl)cc1)N1CCC(c2c[nH]c3ccccc23)CC1.
What is the InChIKey of 3-(4-chlorophenoxy)-1-[4-(1H-indol-3-yl)piperidin-1-yl]propan-1-one?
The InChIKey is HQBCFLPWKPNWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O2/c23-17-5-7-18(8-6-17)27-14-11-22(26)25-12-9-16(10-13-25)20-15-24-21-4-2-1-3-19(20)21/h1-8,15-16,24H,9-14H2.
What are the key properties of 3-(4-chlorophenoxy)-1-[4-(1H-indol-3-yl)piperidin-1-yl]propan-1-one?
3-(4-chlorophenoxy)-1-[4-(1H-indol-3-yl)piperidin-1-yl]propan-1-one has a molecular weight of 382.89 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenoxy)-1-[4-(1H-indol-3-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 55910561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).