(2R)-1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(4-ethylphenoxy)propan-1-one

C23H26N2O3 — CID 40784143

IUPAC(2R)-1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(4-ethylphenoxy)propan-1-one
SMILESCCc1ccc(O[C@H](C)C(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1
InChIInChI=1S/C23H26N2O3/c1-3-17-8-10-19(11-9-17)27-16(2)23(26)25-14-12-18(13-15-25)22-24-20-6-4-5-7-21(20)28-22/h4-11,16,18H,3,12-15H2,1-2H3/t16-/m1/s1
InChIKeyRRCODNYFSVSVKT-MRXNPFEDSA-N
MW378.47 g/mol
LogP4.56
Rot. Bonds5

About (2R)-1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(4-ethylphenoxy)propan-1-one

(2R)-1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(4-ethylphenoxy)propan-1-one (PubChem CID 40784143) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is (2R)-1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(4-ethylphenoxy)propan-1-one.

Molecular Properties

Compound Name(2R)-1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(4-ethylphenoxy)propan-1-one
PubChem CID40784143
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name(2R)-1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(4-ethylphenoxy)propan-1-one
SMILESCCc1ccc(O[C@H](C)C(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1
InChIInChI=1S/C23H26N2O3/c1-3-17-8-10-19(11-9-17)27-16(2)23(26)25-14-12-18(13-15-25)22-24-20-6-4-5-7-21(20)28-22/h4-11,16,18H,3,12-15H2,1-2H3/t16-/m1/s1
InChIKeyRRCODNYFSVSVKT-MRXNPFEDSA-N
XLogP4.56
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2R)-1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(4-ethylphenoxy)propan-1-one with MolForge

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Related Compounds

1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-bromobutan-1-one
CID 62856831
1-(4-aminopiperidin-1-yl)-2-(4-ethylphenoxy)propan-1-one
CID 82043331
1-[2-(4-ethylphenoxy)propanoyl]piperidine-4-carboxylic acid
CID 54793784
ethyl 2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoacetate
CID 21007968
N-[2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-4-ethoxybenzamide
CID 31187832
1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 46663861
4-[4-[2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethoxy]phenyl]butan-2-one
CID 55733706
2-(4-ethylphenoxy)-1-[4-[2-(4-ethylphenoxy)propanoyl]-1,4-diazepan-1-yl]propan-1-one
CID 4981285
4-(1,3-benzoxazol-2-yl)-N-propylpiperidine-1-carboxamide
CID 3761940
2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 55432612
4-(1,3-benzoxazol-2-yl)-N-(2-ethylphenyl)piperidine-1-carboxamide
CID 1429802
2-[2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethyl]sulfanylpropanoic acid
CID 21008031

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(4-ethylphenoxy)propan-1-one?
The IUPAC name of (2R)-1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(4-ethylphenoxy)propan-1-one (CID 40784143) is (2R)-1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(4-ethylphenoxy)propan-1-one.
What is the SMILES notation for (2R)-1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(4-ethylphenoxy)propan-1-one?
The canonical SMILES for (2R)-1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(4-ethylphenoxy)propan-1-one is CCc1ccc(O[C@H](C)C(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1.
What is the InChIKey of (2R)-1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(4-ethylphenoxy)propan-1-one?
The InChIKey is RRCODNYFSVSVKT-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-3-17-8-10-19(11-9-17)27-16(2)23(26)25-14-12-18(13-15-25)22-24-20-6-4-5-7-21(20)28-22/h4-11,16,18H,3,12-15H2,1-2H3/t16-/m1/s1.
What are the key properties of (2R)-1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(4-ethylphenoxy)propan-1-one?
(2R)-1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(4-ethylphenoxy)propan-1-one has a molecular weight of 378.47 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(4-ethylphenoxy)propan-1-one is sourced from PubChem (CID 40784143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).