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

C18H24N4O3 — CID 56812770

IUPACN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-(1,3-benzoxazol-2-yl)butanamide
SMILESNC(=O)CN1CCC(NC(=O)CCCc2nc3ccccc3o2)CC1
InChIInChI=1S/C18H24N4O3/c19-16(23)12-22-10-8-13(9-11-22)20-17(24)6-3-7-18-21-14-4-1-2-5-15(14)25-18/h1-2,4-5,13H,3,6-12H2,(H2,19,23)(H,20,24)
InChIKeyNZOAVGRDSJUVOX-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.22
Rot. Bonds7

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

N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-(1,3-benzoxazol-2-yl)butanamide (PubChem CID 56812770) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-(1,3-benzoxazol-2-yl)butanamide.

Molecular Properties

Compound NameN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-(1,3-benzoxazol-2-yl)butanamide
PubChem CID56812770
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC NameN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-(1,3-benzoxazol-2-yl)butanamide
SMILESNC(=O)CN1CCC(NC(=O)CCCc2nc3ccccc3o2)CC1
InChIInChI=1S/C18H24N4O3/c19-16(23)12-22-10-8-13(9-11-22)20-17(24)6-3-7-18-21-14-4-1-2-5-15(14)25-18/h1-2,4-5,13H,3,6-12H2,(H2,19,23)(H,20,24)
InChIKeyNZOAVGRDSJUVOX-UHFFFAOYSA-N
XLogP1.22
TPSA101.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-(1,3-benzoxazol-2-yl)butanamide?
The IUPAC name of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-(1,3-benzoxazol-2-yl)butanamide (CID 56812770) is N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-(1,3-benzoxazol-2-yl)butanamide.
What is the SMILES notation for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-(1,3-benzoxazol-2-yl)butanamide?
The canonical SMILES for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-(1,3-benzoxazol-2-yl)butanamide is NC(=O)CN1CCC(NC(=O)CCCc2nc3ccccc3o2)CC1.
What is the InChIKey of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-(1,3-benzoxazol-2-yl)butanamide?
The InChIKey is NZOAVGRDSJUVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c19-16(23)12-22-10-8-13(9-11-22)20-17(24)6-3-7-18-21-14-4-1-2-5-15(14)25-18/h1-2,4-5,13H,3,6-12H2,(H2,19,23)(H,20,24).
What are the key properties of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-(1,3-benzoxazol-2-yl)butanamide?
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-(1,3-benzoxazol-2-yl)butanamide has a molecular weight of 344.42 g/mol, XLogP of 1.22, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-(1,3-benzoxazol-2-yl)butanamide is sourced from PubChem (CID 56812770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).