4-[[(2R)-2-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]propanoyl]amino]benzamide

C22H24N4O3 — CID 31986928

IUPAC4-[[(2R)-2-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]propanoyl]amino]benzamide
SMILESC[C@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CCC[C@@H](c2nc3ccccc3o2)C1
InChIInChI=1S/C22H24N4O3/c1-14(21(28)24-17-10-8-15(9-11-17)20(23)27)26-12-4-5-16(13-26)22-25-18-6-2-3-7-19(18)29-22/h2-3,6-11,14,16H,4-5,12-13H2,1H3,(H2,23,27)(H,24,28)/t14-,16-/m1/s1
InChIKeyAGHGJXNKUIRQAX-GDBMZVCRSA-N
MW392.46 g/mol
LogP3.13
Rot. Bonds5

About 4-[[(2R)-2-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]propanoyl]amino]benzamide

4-[[(2R)-2-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]propanoyl]amino]benzamide (PubChem CID 31986928) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 4-[[(2R)-2-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]propanoyl]amino]benzamide.

Molecular Properties

Compound Name4-[[(2R)-2-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]propanoyl]amino]benzamide
PubChem CID31986928
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name4-[[(2R)-2-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]propanoyl]amino]benzamide
SMILESC[C@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CCC[C@@H](c2nc3ccccc3o2)C1
InChIInChI=1S/C22H24N4O3/c1-14(21(28)24-17-10-8-15(9-11-17)20(23)27)26-12-4-5-16(13-26)22-25-18-6-2-3-7-19(18)29-22/h2-3,6-11,14,16H,4-5,12-13H2,1H3,(H2,23,27)(H,24,28)/t14-,16-/m1/s1
InChIKeyAGHGJXNKUIRQAX-GDBMZVCRSA-N
XLogP3.13
TPSA101.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(4-chlorophenyl)propanamide
CID 46402845
2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 46402789
2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-methylphenyl)propanamide
CID 46444293
2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-chlorophenyl)propanamide
CID 46402796
(2R)-2-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 37078163
2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
CID 86984007
(2R)-2-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(methylcarbamoyl)propanamide
CID 31987220
4-[[(2R)-2-[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]propanoyl]amino]benzamide
CID 9106275
2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 46402844
(2R)-2-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 95592437
(2S)-2-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-phenylacetamide
CID 94110566
4-[2-[3-(methylamino)piperidin-1-yl]propanoylamino]benzamide
CID 119920088

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-2-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]propanoyl]amino]benzamide?
The IUPAC name of 4-[[(2R)-2-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]propanoyl]amino]benzamide (CID 31986928) is 4-[[(2R)-2-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]propanoyl]amino]benzamide.
What is the SMILES notation for 4-[[(2R)-2-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]propanoyl]amino]benzamide?
The canonical SMILES for 4-[[(2R)-2-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]propanoyl]amino]benzamide is C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CCC[C@@H](c2nc3ccccc3o2)C1.
What is the InChIKey of 4-[[(2R)-2-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]propanoyl]amino]benzamide?
The InChIKey is AGHGJXNKUIRQAX-GDBMZVCRSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-14(21(28)24-17-10-8-15(9-11-17)20(23)27)26-12-4-5-16(13-26)22-25-18-6-2-3-7-19(18)29-22/h2-3,6-11,14,16H,4-5,12-13H2,1H3,(H2,23,27)(H,24,28)/t14-,16-/m1/s1.
What are the key properties of 4-[[(2R)-2-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]propanoyl]amino]benzamide?
4-[[(2R)-2-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]propanoyl]amino]benzamide has a molecular weight of 392.46 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-2-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]propanoyl]amino]benzamide is sourced from PubChem (CID 31986928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).