1-cyclopropylsulfonyl-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-6-yl]piperidine-4-carboxamide

C23H25N3O5S — CID 154705957

IUPAC1-cyclopropylsulfonyl-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-6-yl]piperidine-4-carboxamide
SMILESCOc1ccc(-c2nc3ccc(NC(=O)C4CCN(S(=O)(=O)C5CC5)CC4)cc3o2)cc1
InChIInChI=1S/C23H25N3O5S/c1-30-18-5-2-16(3-6-18)23-25-20-9-4-17(14-21(20)31-23)24-22(27)15-10-12-26(13-11-15)32(28,29)19-7-8-19/h2-6,9,14-15,19H,7-8,10-13H2,1H3,(H,24,27)
InChIKeyJEVAHYIAMRPSHY-UHFFFAOYSA-N
MW455.54 g/mol
LogP3.65
Rot. Bonds6

About 1-cyclopropylsulfonyl-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-6-yl]piperidine-4-carboxamide

1-cyclopropylsulfonyl-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-6-yl]piperidine-4-carboxamide (PubChem CID 154705957) has the molecular formula C23H25N3O5S and a molecular weight of 455.54 g/mol. Its IUPAC name is 1-cyclopropylsulfonyl-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-6-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-cyclopropylsulfonyl-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-6-yl]piperidine-4-carboxamide
PubChem CID154705957
Molecular FormulaC23H25N3O5S
Molecular Weight455.54 g/mol
Exact Mass455.15
IUPAC Name1-cyclopropylsulfonyl-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-6-yl]piperidine-4-carboxamide
SMILESCOc1ccc(-c2nc3ccc(NC(=O)C4CCN(S(=O)(=O)C5CC5)CC4)cc3o2)cc1
InChIInChI=1S/C23H25N3O5S/c1-30-18-5-2-16(3-6-18)23-25-20-9-4-17(14-21(20)31-23)24-22(27)15-10-12-26(13-11-15)32(28,29)19-7-8-19/h2-6,9,14-15,19H,7-8,10-13H2,1H3,(H,24,27)
InChIKeyJEVAHYIAMRPSHY-UHFFFAOYSA-N
XLogP3.65
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.54
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methyl-1,3-benzoxazol-6-yl)-1-methylsulfonylpiperidine-4-carboxamide
CID 110729021
N-[2-(4-chlorophenyl)-1,3-benzoxazol-6-yl]-2-(4-methoxyphenyl)acetamide
CID 7326619
N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 1146260
N-[4-[5-(cyclohexanecarbonylamino)-1,3-benzoxazol-2-yl]phenyl]cyclohexanecarboxamide
CID 1092407
ethyl 4-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 24599468
N-(3-chloro-4-methylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 2672974
(2S)-N-[2-(4-methylphenyl)-1,3-benzoxazol-6-yl]oxolane-2-carboxamide
CID 9323035
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1075592
N-(3-chloro-4-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1075521
N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 25187966
N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-6-yl]-3-(4-methoxyphenyl)propanamide
CID 17360136
N-(4-methoxyphenyl)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-4-carboxamide
CID 50814495

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylsulfonyl-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-6-yl]piperidine-4-carboxamide?
The IUPAC name of 1-cyclopropylsulfonyl-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-6-yl]piperidine-4-carboxamide (CID 154705957) is 1-cyclopropylsulfonyl-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-6-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-cyclopropylsulfonyl-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-6-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-cyclopropylsulfonyl-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-6-yl]piperidine-4-carboxamide is COc1ccc(-c2nc3ccc(NC(=O)C4CCN(S(=O)(=O)C5CC5)CC4)cc3o2)cc1.
What is the InChIKey of 1-cyclopropylsulfonyl-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-6-yl]piperidine-4-carboxamide?
The InChIKey is JEVAHYIAMRPSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5S/c1-30-18-5-2-16(3-6-18)23-25-20-9-4-17(14-21(20)31-23)24-22(27)15-10-12-26(13-11-15)32(28,29)19-7-8-19/h2-6,9,14-15,19H,7-8,10-13H2,1H3,(H,24,27).
What are the key properties of 1-cyclopropylsulfonyl-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-6-yl]piperidine-4-carboxamide?
1-cyclopropylsulfonyl-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-6-yl]piperidine-4-carboxamide has a molecular weight of 455.54 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylsulfonyl-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-6-yl]piperidine-4-carboxamide is sourced from PubChem (CID 154705957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).