4-[1-amino-2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-N-pyridin-4-ylbenzamide

C26H25N5O3 — CID 15982247

IUPAC4-[1-amino-2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-N-pyridin-4-ylbenzamide
SMILESNC(C(=O)N1CCC(c2nc3ccccc3o2)CC1)c1ccc(C(=O)Nc2ccncc2)cc1
InChIInChI=1S/C26H25N5O3/c27-23(17-5-7-18(8-6-17)24(32)29-20-9-13-28-14-10-20)26(33)31-15-11-19(12-16-31)25-30-21-3-1-2-4-22(21)34-25/h1-10,13-14,19,23H,11-12,15-16,27H2,(H,28,29,32)
InChIKeyJKEMIRZHGVAWPI-UHFFFAOYSA-N
MW455.52 g/mol
LogP3.88
Rot. Bonds5

About 4-[1-amino-2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-N-pyridin-4-ylbenzamide

4-[1-amino-2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-N-pyridin-4-ylbenzamide (PubChem CID 15982247) has the molecular formula C26H25N5O3 and a molecular weight of 455.52 g/mol. Its IUPAC name is 4-[1-amino-2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name4-[1-amino-2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-N-pyridin-4-ylbenzamide
PubChem CID15982247
Molecular FormulaC26H25N5O3
Molecular Weight455.52 g/mol
Exact Mass455.20
IUPAC Name4-[1-amino-2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-N-pyridin-4-ylbenzamide
SMILESNC(C(=O)N1CCC(c2nc3ccccc3o2)CC1)c1ccc(C(=O)Nc2ccncc2)cc1
InChIInChI=1S/C26H25N5O3/c27-23(17-5-7-18(8-6-17)24(32)29-20-9-13-28-14-10-20)26(33)31-15-11-19(12-16-31)25-30-21-3-1-2-4-22(21)34-25/h1-10,13-14,19,23H,11-12,15-16,27H2,(H,28,29,32)
InChIKeyJKEMIRZHGVAWPI-UHFFFAOYSA-N
XLogP3.88
TPSA114.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.52
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-amino-2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-N-pyridin-4-ylbenzamide?
The IUPAC name of 4-[1-amino-2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-N-pyridin-4-ylbenzamide (CID 15982247) is 4-[1-amino-2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 4-[1-amino-2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-N-pyridin-4-ylbenzamide?
The canonical SMILES for 4-[1-amino-2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-N-pyridin-4-ylbenzamide is NC(C(=O)N1CCC(c2nc3ccccc3o2)CC1)c1ccc(C(=O)Nc2ccncc2)cc1.
What is the InChIKey of 4-[1-amino-2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-N-pyridin-4-ylbenzamide?
The InChIKey is JKEMIRZHGVAWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O3/c27-23(17-5-7-18(8-6-17)24(32)29-20-9-13-28-14-10-20)26(33)31-15-11-19(12-16-31)25-30-21-3-1-2-4-22(21)34-25/h1-10,13-14,19,23H,11-12,15-16,27H2,(H,28,29,32).
What are the key properties of 4-[1-amino-2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-N-pyridin-4-ylbenzamide?
4-[1-amino-2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-N-pyridin-4-ylbenzamide has a molecular weight of 455.52 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-amino-2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 15982247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).