(2R)-N-(3-chlorophenyl)-2-[1-(2-phenyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]propanamide

C28H26ClN3O3 — CID 95083560

IUPAC(2R)-N-(3-chlorophenyl)-2-[1-(2-phenyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]propanamide
SMILESC[C@@H](C(=O)Nc1cccc(Cl)c1)C1CCN(C(=O)c2ccc3oc(-c4ccccc4)nc3c2)CC1
InChIInChI=1S/C28H26ClN3O3/c1-18(26(33)30-23-9-5-8-22(29)17-23)19-12-14-32(15-13-19)28(34)21-10-11-25-24(16-21)31-27(35-25)20-6-3-2-4-7-20/h2-11,16-19H,12-15H2,1H3,(H,30,33)/t18-/m1/s1
InChIKeyAAGPTJYUEWEIDQ-GOSISDBHSA-N
MW487.99 g/mol
LogP6.28
Rot. Bonds5

About (2R)-N-(3-chlorophenyl)-2-[1-(2-phenyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]propanamide

(2R)-N-(3-chlorophenyl)-2-[1-(2-phenyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]propanamide (PubChem CID 95083560) has the molecular formula C28H26ClN3O3 and a molecular weight of 487.99 g/mol. Its IUPAC name is (2R)-N-(3-chlorophenyl)-2-[1-(2-phenyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-(3-chlorophenyl)-2-[1-(2-phenyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]propanamide
PubChem CID95083560
Molecular FormulaC28H26ClN3O3
Molecular Weight487.99 g/mol
Exact Mass487.17
IUPAC Name(2R)-N-(3-chlorophenyl)-2-[1-(2-phenyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]propanamide
SMILESC[C@@H](C(=O)Nc1cccc(Cl)c1)C1CCN(C(=O)c2ccc3oc(-c4ccccc4)nc3c2)CC1
InChIInChI=1S/C28H26ClN3O3/c1-18(26(33)30-23-9-5-8-22(29)17-23)19-12-14-32(15-13-19)28(34)21-10-11-25-24(16-21)31-27(35-25)20-6-3-2-4-7-20/h2-11,16-19H,12-15H2,1H3,(H,30,33)/t18-/m1/s1
InChIKeyAAGPTJYUEWEIDQ-GOSISDBHSA-N
XLogP6.28
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.99
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(2-chlorophenyl)-2-[1-(2-phenyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]propanamide
CID 95083556
(2S)-2-[1-(2-phenyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]-N-propylpropanamide
CID 95083620
N-[(4-ethylphenyl)methyl]-2-[1-(2-phenyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]propanamide
CID 53103442
(2S)-2-[1-(2-phenyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]-1-piperidin-1-ylpropan-1-one
CID 93061123
(2S)-N-(3-ethoxypropyl)-2-[1-(2-phenyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]propanamide
CID 95083674
(2S)-N-cyclopentyl-2-[1-[2-(4-methylphenyl)-1,3-benzoxazole-5-carbonyl]piperidin-4-yl]propanamide
CID 95083824
N-cycloheptyl-2-[1-[2-(4-methylphenyl)-1,3-benzoxazole-5-carbonyl]piperidin-4-yl]propanamide
CID 53103487
N-(2-methoxyethyl)-2-[1-[2-(4-methylphenyl)-1,3-benzoxazole-5-carbonyl]piperidin-4-yl]propanamide
CID 53103501
2-[1-(2-phenyl-1,3-benzoxazole-6-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 46378855
[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 50850755
1-(azepan-1-yl)-2-[1-(2-phenyl-1,3-benzoxazole-6-carbonyl)piperidin-4-yl]propan-1-one
CID 46378853
(2R)-N-[(4-methylphenyl)methyl]-2-[1-(2-phenyl-1,3-benzoxazole-6-carbonyl)piperidin-4-yl]propanamide
CID 92503917

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-chlorophenyl)-2-[1-(2-phenyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]propanamide?
The IUPAC name of (2R)-N-(3-chlorophenyl)-2-[1-(2-phenyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]propanamide (CID 95083560) is (2R)-N-(3-chlorophenyl)-2-[1-(2-phenyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]propanamide.
What is the SMILES notation for (2R)-N-(3-chlorophenyl)-2-[1-(2-phenyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]propanamide?
The canonical SMILES for (2R)-N-(3-chlorophenyl)-2-[1-(2-phenyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]propanamide is C[C@@H](C(=O)Nc1cccc(Cl)c1)C1CCN(C(=O)c2ccc3oc(-c4ccccc4)nc3c2)CC1.
What is the InChIKey of (2R)-N-(3-chlorophenyl)-2-[1-(2-phenyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]propanamide?
The InChIKey is AAGPTJYUEWEIDQ-GOSISDBHSA-N. The full InChI is InChI=1S/C28H26ClN3O3/c1-18(26(33)30-23-9-5-8-22(29)17-23)19-12-14-32(15-13-19)28(34)21-10-11-25-24(16-21)31-27(35-25)20-6-3-2-4-7-20/h2-11,16-19H,12-15H2,1H3,(H,30,33)/t18-/m1/s1.
What are the key properties of (2R)-N-(3-chlorophenyl)-2-[1-(2-phenyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]propanamide?
(2R)-N-(3-chlorophenyl)-2-[1-(2-phenyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]propanamide has a molecular weight of 487.99 g/mol, XLogP of 6.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-chlorophenyl)-2-[1-(2-phenyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 95083560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).