N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide

C24H29N3O4 — CID 9268625

IUPACN-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESCOc1ccc([C@@H](CNC(=O)CCn2c(=O)oc3ccccc32)N2CCCCC2)cc1
InChIInChI=1S/C24H29N3O4/c1-30-19-11-9-18(10-12-19)21(26-14-5-2-6-15-26)17-25-23(28)13-16-27-20-7-3-4-8-22(20)31-24(27)29/h3-4,7-12,21H,2,5-6,13-17H2,1H3,(H,25,28)/t21-/m1/s1
InChIKeyGBGJVLDGPATSEZ-OAQYLSRUSA-N
MW423.51 g/mol
LogP3.34
Rot. Bonds8

About N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide

N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide (PubChem CID 9268625) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide.

Molecular Properties

Compound NameN-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
PubChem CID9268625
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC NameN-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESCOc1ccc([C@@H](CNC(=O)CCn2c(=O)oc3ccccc32)N2CCCCC2)cc1
InChIInChI=1S/C24H29N3O4/c1-30-19-11-9-18(10-12-19)21(26-14-5-2-6-15-26)17-25-23(28)13-16-27-20-7-3-4-8-22(20)31-24(27)29/h3-4,7-12,21H,2,5-6,13-17H2,1H3,(H,25,28)/t21-/m1/s1
InChIKeyGBGJVLDGPATSEZ-OAQYLSRUSA-N
XLogP3.34
TPSA76.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 43019612
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 46521852
N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 27771823
3-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 55329042
4-(4-methoxyphenyl)-4-oxo-N-(2-phenyl-2-piperidin-1-ylethyl)butanamide
CID 110406744
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide
CID 112781138
N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-3-thiophen-2-ylpropanamide
CID 110301837
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 47101154
2-(2-hydroxyphenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide
CID 60615784
N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-oxochromene-3-carboxamide
CID 40849817
4-amino-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]butanamide
CID 119829586
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylacetamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The IUPAC name of N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide (CID 9268625) is N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide.
What is the SMILES notation for N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The canonical SMILES for N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide is COc1ccc([C@@H](CNC(=O)CCn2c(=O)oc3ccccc32)N2CCCCC2)cc1.
What is the InChIKey of N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The InChIKey is GBGJVLDGPATSEZ-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-30-19-11-9-18(10-12-19)21(26-14-5-2-6-15-26)17-25-23(28)13-16-27-20-7-3-4-8-22(20)31-24(27)29/h3-4,7-12,21H,2,5-6,13-17H2,1H3,(H,25,28)/t21-/m1/s1.
What are the key properties of N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide has a molecular weight of 423.51 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide is sourced from PubChem (CID 9268625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).