1-(1,3-benzoxazol-2-yl)-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide

C25H30N4O4S — CID 24611705

IUPAC1-(1,3-benzoxazol-2-yl)-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1S(=O)(=O)N1CCCCC1)C1CCN(c2nc3ccccc3o2)CC1
InChIInChI=1S/C25H30N4O4S/c30-24(19-12-16-28(17-13-19)25-27-21-9-3-4-10-22(21)33-25)26-18-20-8-2-5-11-23(20)34(31,32)29-14-6-1-7-15-29/h2-5,8-11,19H,1,6-7,12-18H2,(H,26,30)
InChIKeyONNRCHCEORKXBL-UHFFFAOYSA-N
MW482.61 g/mol
LogP3.54
Rot. Bonds6

About 1-(1,3-benzoxazol-2-yl)-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide

1-(1,3-benzoxazol-2-yl)-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 24611705) has the molecular formula C25H30N4O4S and a molecular weight of 482.61 g/mol. Its IUPAC name is 1-(1,3-benzoxazol-2-yl)-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzoxazol-2-yl)-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide
PubChem CID24611705
Molecular FormulaC25H30N4O4S
Molecular Weight482.61 g/mol
Exact Mass482.20
IUPAC Name1-(1,3-benzoxazol-2-yl)-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1S(=O)(=O)N1CCCCC1)C1CCN(c2nc3ccccc3o2)CC1
InChIInChI=1S/C25H30N4O4S/c30-24(19-12-16-28(17-13-19)25-27-21-9-3-4-10-22(21)33-25)26-18-20-8-2-5-11-23(20)34(31,32)29-14-6-1-7-15-29/h2-5,8-11,19H,1,6-7,12-18H2,(H,26,30)
InChIKeyONNRCHCEORKXBL-UHFFFAOYSA-N
XLogP3.54
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.61
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1,3-benzoxazol-2-yl)-N-[[2-(methoxymethyl)phenyl]methyl]piperidine-4-carboxamide
CID 32605823
1-(1,3-benzoxazol-2-yl)-N-[2-(cycloheptylamino)ethyl]piperidine-4-carboxamide
CID 119620972
N-[(2-piperidin-1-ylsulfonylphenyl)methyl]pyrrolidine-3-carboxamide
CID 119700344
1-(1,3-benzoxazol-2-yl)-N'-(cyclopropanecarbonyl)piperidine-4-carbohydrazide
CID 26025752
1-(1,3-benzoxazol-2-yl)-N-butylpiperidine-4-carboxamide
CID 15993683
1-(1,3-benzoxazol-2-yl)-N-(2,2-diphenylpropyl)piperidine-4-carboxamide
CID 24584539
1-(1,3-benzoxazol-2-yl)-N-[2-(ethylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 18145860
[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 3415222
1-(1,3-benzoxazol-2-yl)-N-benzylpiperidine-3-carboxamide
CID 3622789
1-(1,3-benzoxazol-2-yl)-N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]piperidine-4-carboxamide
CID 26034550
1-(1,3-benzoxazol-2-yl)-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 17494872
1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-N-(cyclopropylmethyl)piperidine-3-carboxamide
CID 45181110

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzoxazol-2-yl)-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(1,3-benzoxazol-2-yl)-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide (CID 24611705) is 1-(1,3-benzoxazol-2-yl)-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(1,3-benzoxazol-2-yl)-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(1,3-benzoxazol-2-yl)-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide is O=C(NCc1ccccc1S(=O)(=O)N1CCCCC1)C1CCN(c2nc3ccccc3o2)CC1.
What is the InChIKey of 1-(1,3-benzoxazol-2-yl)-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is ONNRCHCEORKXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O4S/c30-24(19-12-16-28(17-13-19)25-27-21-9-3-4-10-22(21)33-25)26-18-20-8-2-5-11-23(20)34(31,32)29-14-6-1-7-15-29/h2-5,8-11,19H,1,6-7,12-18H2,(H,26,30).
What are the key properties of 1-(1,3-benzoxazol-2-yl)-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide?
1-(1,3-benzoxazol-2-yl)-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 482.61 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzoxazol-2-yl)-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 24611705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).