N-naphthalen-1-yl-3-[2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]propanamide

C27H29N3O3 — CID 43037962

About N-naphthalen-1-yl-3-[2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]propanamide

N-naphthalen-1-yl-3-[2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]propanamide (PubChem CID 43037962) has the molecular formula C27H29N3O3 and a molecular weight of 443.55 g/mol. Its IUPAC name is N-naphthalen-1-yl-3-[2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]propanamide.

Molecular Properties

• Compound Name: N-naphthalen-1-yl-3-[2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]propanamide
• PubChem CID: 43037962
• Molecular Formula: C27H29N3O3
• Molecular Weight: 443.55 g/mol
• Exact Mass: 443.22
• IUPAC Name: N-naphthalen-1-yl-3-[2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]propanamide
• SMILES: O=C(CCN1CC(C(=O)N2CCCCC2)Oc2ccccc21)Nc1cccc2ccccc12
• InChI: InChI=1S/C27H29N3O3/c31-26(28-22-12-8-10-20-9-2-3-11-21(20)22)15-18-30-19-25(27(32)29-16-6-1-7-17-29)33-24-14-5-4-13-23(24)30/h2-5,8-14,25H,1,6-7,15-19H2,(H,28,31)
• InChIKey: YIDKBDZGBSBXRK-UHFFFAOYSA-N
• XLogP: 4.45
• TPSA: 61.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.55
LogP ≤ 5	4.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-3-[2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]propanamide?

The IUPAC name of N-naphthalen-1-yl-3-[2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]propanamide (CID 43037962) is N-naphthalen-1-yl-3-[2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]propanamide.

What is the SMILES notation for N-naphthalen-1-yl-3-[2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]propanamide?

The canonical SMILES for N-naphthalen-1-yl-3-[2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]propanamide is O=C(CCN1CC(C(=O)N2CCCCC2)Oc2ccccc21)Nc1cccc2ccccc12.

What is the InChIKey of N-naphthalen-1-yl-3-[2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]propanamide?

The InChIKey is YIDKBDZGBSBXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O3/c31-26(28-22-12-8-10-20-9-2-3-11-21(20)22)15-18-30-19-25(27(32)29-16-6-1-7-17-29)33-24-14-5-4-13-23(24)30/h2-5,8-14,25H,1,6-7,15-19H2,(H,28,31).

What are the key properties of N-naphthalen-1-yl-3-[2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]propanamide?

N-naphthalen-1-yl-3-[2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]propanamide has a molecular weight of 443.55 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-naphthalen-1-yl-3-[2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]propanamide is sourced from PubChem (CID 43037962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).