N-(1-adamantyl)-4-(1,3-benzoxazol-2-yl)piperidine-1-carboxamide

C23H29N3O2 — CID 44753677

IUPACN-(1-adamantyl)-4-(1,3-benzoxazol-2-yl)piperidine-1-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)N1CCC(c2nc3ccccc3o2)CC1
InChIInChI=1S/C23H29N3O2/c27-22(25-23-12-15-9-16(13-23)11-17(10-15)14-23)26-7-5-18(6-8-26)21-24-19-3-1-2-4-20(19)28-21/h1-4,15-18H,5-14H2,(H,25,27)
InChIKeyYSYTVBQRQHVQJQ-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.69
Rot. Bonds2

About N-(1-adamantyl)-4-(1,3-benzoxazol-2-yl)piperidine-1-carboxamide

N-(1-adamantyl)-4-(1,3-benzoxazol-2-yl)piperidine-1-carboxamide (PubChem CID 44753677) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-(1-adamantyl)-4-(1,3-benzoxazol-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-4-(1,3-benzoxazol-2-yl)piperidine-1-carboxamide
PubChem CID44753677
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-(1-adamantyl)-4-(1,3-benzoxazol-2-yl)piperidine-1-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)N1CCC(c2nc3ccccc3o2)CC1
InChIInChI=1S/C23H29N3O2/c27-22(25-23-12-15-9-16(13-23)11-17(10-15)14-23)26-7-5-18(6-8-26)21-24-19-3-1-2-4-20(19)28-21/h1-4,15-18H,5-14H2,(H,25,27)
InChIKeyYSYTVBQRQHVQJQ-UHFFFAOYSA-N
XLogP4.69
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-4-(1,3-benzoxazol-2-yl)piperidine-1-carboxamide?
The IUPAC name of N-(1-adamantyl)-4-(1,3-benzoxazol-2-yl)piperidine-1-carboxamide (CID 44753677) is N-(1-adamantyl)-4-(1,3-benzoxazol-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-4-(1,3-benzoxazol-2-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(1-adamantyl)-4-(1,3-benzoxazol-2-yl)piperidine-1-carboxamide is O=C(NC12CC3CC(CC(C3)C1)C2)N1CCC(c2nc3ccccc3o2)CC1.
What is the InChIKey of N-(1-adamantyl)-4-(1,3-benzoxazol-2-yl)piperidine-1-carboxamide?
The InChIKey is YSYTVBQRQHVQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c27-22(25-23-12-15-9-16(13-23)11-17(10-15)14-23)26-7-5-18(6-8-26)21-24-19-3-1-2-4-20(19)28-21/h1-4,15-18H,5-14H2,(H,25,27).
What are the key properties of N-(1-adamantyl)-4-(1,3-benzoxazol-2-yl)piperidine-1-carboxamide?
N-(1-adamantyl)-4-(1,3-benzoxazol-2-yl)piperidine-1-carboxamide has a molecular weight of 379.50 g/mol, XLogP of 4.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-4-(1,3-benzoxazol-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 44753677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).