(1-methylpiperidin-4-yl) N-[5-[3-[[6-(hydroxymethyl)naphthalen-2-yl]amino]-3-oxopropyl]-2-phenylphenyl]carbamate

C33H35N3O4 — CID 66760921

About (1-methylpiperidin-4-yl) N-[5-[3-[[6-(hydroxymethyl)naphthalen-2-yl]amino]-3-oxopropyl]-2-phenylphenyl]carbamate

(1-methylpiperidin-4-yl) N-[5-[3-[[6-(hydroxymethyl)naphthalen-2-yl]amino]-3-oxopropyl]-2-phenylphenyl]carbamate (PubChem CID 66760921) has the molecular formula C33H35N3O4 and a molecular weight of 537.66 g/mol. Its IUPAC name is (1-methylpiperidin-4-yl) N-[5-[3-[[6-(hydroxymethyl)naphthalen-2-yl]amino]-3-oxopropyl]-2-phenylphenyl]carbamate.

Molecular Properties

• Compound Name: (1-methylpiperidin-4-yl) N-[5-[3-[[6-(hydroxymethyl)naphthalen-2-yl]amino]-3-oxopropyl]-2-phenylphenyl]carbamate
• PubChem CID: 66760921
• Molecular Formula: C33H35N3O4
• Molecular Weight: 537.66 g/mol
• Exact Mass: 537.26
• IUPAC Name: (1-methylpiperidin-4-yl) N-[5-[3-[[6-(hydroxymethyl)naphthalen-2-yl]amino]-3-oxopropyl]-2-phenylphenyl]carbamate
• SMILES: CN1CCC(OC(=O)Nc2cc(CCC(=O)Nc3ccc4cc(CO)ccc4c3)ccc2-c2ccccc2)CC1
• InChI: InChI=1S/C33H35N3O4/c1-36-17-15-29(16-18-36)40-33(39)35-31-20-23(8-13-30(31)25-5-3-2-4-6-25)9-14-32(38)34-28-12-11-26-19-24(22-37)7-10-27(26)21-28/h2-8,10-13,19-21,29,37H,9,14-18,22H2,1H3,(H,34,38)(H,35,39)
• InChIKey: OLXOKVRWNSZMET-UHFFFAOYSA-N
• XLogP: 6.21
• TPSA: 90.90 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	537.66
LogP ≤ 5	6.21
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-4-yl) N-[5-[3-[[6-(hydroxymethyl)naphthalen-2-yl]amino]-3-oxopropyl]-2-phenylphenyl]carbamate?

The IUPAC name of (1-methylpiperidin-4-yl) N-[5-[3-[[6-(hydroxymethyl)naphthalen-2-yl]amino]-3-oxopropyl]-2-phenylphenyl]carbamate (CID 66760921) is (1-methylpiperidin-4-yl) N-[5-[3-[[6-(hydroxymethyl)naphthalen-2-yl]amino]-3-oxopropyl]-2-phenylphenyl]carbamate.

What is the SMILES notation for (1-methylpiperidin-4-yl) N-[5-[3-[[6-(hydroxymethyl)naphthalen-2-yl]amino]-3-oxopropyl]-2-phenylphenyl]carbamate?

The canonical SMILES for (1-methylpiperidin-4-yl) N-[5-[3-[[6-(hydroxymethyl)naphthalen-2-yl]amino]-3-oxopropyl]-2-phenylphenyl]carbamate is CN1CCC(OC(=O)Nc2cc(CCC(=O)Nc3ccc4cc(CO)ccc4c3)ccc2-c2ccccc2)CC1.

What is the InChIKey of (1-methylpiperidin-4-yl) N-[5-[3-[[6-(hydroxymethyl)naphthalen-2-yl]amino]-3-oxopropyl]-2-phenylphenyl]carbamate?

The InChIKey is OLXOKVRWNSZMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35N3O4/c1-36-17-15-29(16-18-36)40-33(39)35-31-20-23(8-13-30(31)25-5-3-2-4-6-25)9-14-32(38)34-28-12-11-26-19-24(22-37)7-10-27(26)21-28/h2-8,10-13,19-21,29,37H,9,14-18,22H2,1H3,(H,34,38)(H,35,39).

What are the key properties of (1-methylpiperidin-4-yl) N-[5-[3-[[6-(hydroxymethyl)naphthalen-2-yl]amino]-3-oxopropyl]-2-phenylphenyl]carbamate?

(1-methylpiperidin-4-yl) N-[5-[3-[[6-(hydroxymethyl)naphthalen-2-yl]amino]-3-oxopropyl]-2-phenylphenyl]carbamate has a molecular weight of 537.66 g/mol, XLogP of 6.21, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (1-methylpiperidin-4-yl) N-[5-[3-[[6-(hydroxymethyl)naphthalen-2-yl]amino]-3-oxopropyl]-2-phenylphenyl]carbamate is sourced from PubChem (CID 66760921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).