[3-(4-chlorophenyl)piperidin-1-yl]-(2-cyclopropyl-1,3-benzoxazol-6-yl)methanone

C22H21ClN2O2 — CID 45204088

IUPAC[3-(4-chlorophenyl)piperidin-1-yl]-(2-cyclopropyl-1,3-benzoxazol-6-yl)methanone
SMILESO=C(c1ccc2nc(C3CC3)oc2c1)N1CCCC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C22H21ClN2O2/c23-18-8-5-14(6-9-18)17-2-1-11-25(13-17)22(26)16-7-10-19-20(12-16)27-21(24-19)15-3-4-15/h5-10,12,15,17H,1-4,11,13H2
InChIKeyFXOXUDMIXPODPO-UHFFFAOYSA-N
MW380.88 g/mol
LogP5.38
Rot. Bonds3

About [3-(4-chlorophenyl)piperidin-1-yl]-(2-cyclopropyl-1,3-benzoxazol-6-yl)methanone

[3-(4-chlorophenyl)piperidin-1-yl]-(2-cyclopropyl-1,3-benzoxazol-6-yl)methanone (PubChem CID 45204088) has the molecular formula C22H21ClN2O2 and a molecular weight of 380.88 g/mol. Its IUPAC name is [3-(4-chlorophenyl)piperidin-1-yl]-(2-cyclopropyl-1,3-benzoxazol-6-yl)methanone.

Molecular Properties

Compound Name[3-(4-chlorophenyl)piperidin-1-yl]-(2-cyclopropyl-1,3-benzoxazol-6-yl)methanone
PubChem CID45204088
Molecular FormulaC22H21ClN2O2
Molecular Weight380.88 g/mol
Exact Mass380.13
IUPAC Name[3-(4-chlorophenyl)piperidin-1-yl]-(2-cyclopropyl-1,3-benzoxazol-6-yl)methanone
SMILESO=C(c1ccc2nc(C3CC3)oc2c1)N1CCCC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C22H21ClN2O2/c23-18-8-5-14(6-9-18)17-2-1-11-25(13-17)22(26)16-7-10-19-20(12-16)27-21(24-19)15-3-4-15/h5-10,12,15,17H,1-4,11,13H2
InChIKeyFXOXUDMIXPODPO-UHFFFAOYSA-N
XLogP5.38
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.88
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(3-chlorophenyl)methanone
CID 42957516
(2-cyclopropyl-1,3-benzoxazol-6-yl)-[(3R)-3-(2-fluorophenyl)pyrrolidin-1-yl]methanone
CID 42380756
2-cyclohexyl-1,3-benzoxazole-6-carboxylic acid
CID 66771669
1,3-benzothiazol-6-yl-[3-(4-chlorophenyl)azepan-1-yl]methanone
CID 121146423
(3-bromophenyl)-[3-(4-chlorophenyl)azepan-1-yl]methanone
CID 121146495
4-[3-(4-chlorophenyl)azepane-1-carbonyl]-1H-pyridin-2-one
CID 121146702
[3-(4-chlorophenyl)azepan-1-yl]-(3,5-dimethylphenyl)methanone
CID 121146472
7-[3-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-2-sulfanylidene-1H-quinazolin-4-one
CID 55719034
[3-(4-chlorophenyl)azepan-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 121146514
[4-[[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 86984028
[3-(4-chlorophenyl)azepan-1-yl]-[3-(trifluoromethoxy)phenyl]methanone
CID 121146689
(4-fluorophenyl)-[3-(4-fluorophenyl)piperidin-1-yl]methanone
CID 70334763

Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenyl)piperidin-1-yl]-(2-cyclopropyl-1,3-benzoxazol-6-yl)methanone?
The IUPAC name of [3-(4-chlorophenyl)piperidin-1-yl]-(2-cyclopropyl-1,3-benzoxazol-6-yl)methanone (CID 45204088) is [3-(4-chlorophenyl)piperidin-1-yl]-(2-cyclopropyl-1,3-benzoxazol-6-yl)methanone.
What is the SMILES notation for [3-(4-chlorophenyl)piperidin-1-yl]-(2-cyclopropyl-1,3-benzoxazol-6-yl)methanone?
The canonical SMILES for [3-(4-chlorophenyl)piperidin-1-yl]-(2-cyclopropyl-1,3-benzoxazol-6-yl)methanone is O=C(c1ccc2nc(C3CC3)oc2c1)N1CCCC(c2ccc(Cl)cc2)C1.
What is the InChIKey of [3-(4-chlorophenyl)piperidin-1-yl]-(2-cyclopropyl-1,3-benzoxazol-6-yl)methanone?
The InChIKey is FXOXUDMIXPODPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O2/c23-18-8-5-14(6-9-18)17-2-1-11-25(13-17)22(26)16-7-10-19-20(12-16)27-21(24-19)15-3-4-15/h5-10,12,15,17H,1-4,11,13H2.
What are the key properties of [3-(4-chlorophenyl)piperidin-1-yl]-(2-cyclopropyl-1,3-benzoxazol-6-yl)methanone?
[3-(4-chlorophenyl)piperidin-1-yl]-(2-cyclopropyl-1,3-benzoxazol-6-yl)methanone has a molecular weight of 380.88 g/mol, XLogP of 5.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chlorophenyl)piperidin-1-yl]-(2-cyclopropyl-1,3-benzoxazol-6-yl)methanone is sourced from PubChem (CID 45204088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).