formaldehyde;2-[[(1R,4S)-4-[4-[(2-methoxybenzoyl)amino]piperidine-1-carbonyl]-1-phenyl-3,4-dihydro-2H-naphthalen-1-yl]methylamino]acetic acid

C34H39N3O6 — CID 143659979

About formaldehyde;2-[[(1R,4S)-4-[4-[(2-methoxybenzoyl)amino]piperidine-1-carbonyl]-1-phenyl-3,4-dihydro-2H-naphthalen-1-yl]methylamino]acetic acid

formaldehyde;2-[[(1R,4S)-4-[4-[(2-methoxybenzoyl)amino]piperidine-1-carbonyl]-1-phenyl-3,4-dihydro-2H-naphthalen-1-yl]methylamino]acetic acid (PubChem CID 143659979) has the molecular formula C34H39N3O6 and a molecular weight of 585.70 g/mol. Its IUPAC name is formaldehyde;2-[[(1R,4S)-4-[4-[(2-methoxybenzoyl)amino]piperidine-1-carbonyl]-1-phenyl-3,4-dihydro-2H-naphthalen-1-yl]methylamino]acetic acid.

Molecular Properties

• Compound Name: formaldehyde;2-[[(1R,4S)-4-[4-[(2-methoxybenzoyl)amino]piperidine-1-carbonyl]-1-phenyl-3,4-dihydro-2H-naphthalen-1-yl]methylamino]acetic acid
• PubChem CID: 143659979
• Molecular Formula: C34H39N3O6
• Molecular Weight: 585.70 g/mol
• Exact Mass: 585.28
• IUPAC Name: formaldehyde;2-[[(1R,4S)-4-[4-[(2-methoxybenzoyl)amino]piperidine-1-carbonyl]-1-phenyl-3,4-dihydro-2H-naphthalen-1-yl]methylamino]acetic acid
• SMILES: C=O.COc1ccccc1C(=O)NC1CCN(C(=O)[C@H]2CC[C@@](CNCC(=O)O)(c3ccccc3)c3ccccc32)CC1
• InChI: InChI=1S/C33H37N3O5.CH2O/c1-41-29-14-8-6-12-27(29)31(39)35-24-16-19-36(20-17-24)32(40)26-15-18-33(22-34-21-30(37)38,23-9-3-2-4-10-23)28-13-7-5-11-25(26)28;1-2/h2-14,24,26,34H,15-22H2,1H3,(H,35,39)(H,37,38);1H2/t26-,33+;/m0./s1
• InChIKey: DTABRSXTYRGNGV-SWRBPUJSSA-N
• XLogP: 3.77
• TPSA: 125.04 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	585.70
LogP ≤ 5	3.77
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of formaldehyde;2-[[(1R,4S)-4-[4-[(2-methoxybenzoyl)amino]piperidine-1-carbonyl]-1-phenyl-3,4-dihydro-2H-naphthalen-1-yl]methylamino]acetic acid?

The IUPAC name of formaldehyde;2-[[(1R,4S)-4-[4-[(2-methoxybenzoyl)amino]piperidine-1-carbonyl]-1-phenyl-3,4-dihydro-2H-naphthalen-1-yl]methylamino]acetic acid (CID 143659979) is formaldehyde;2-[[(1R,4S)-4-[4-[(2-methoxybenzoyl)amino]piperidine-1-carbonyl]-1-phenyl-3,4-dihydro-2H-naphthalen-1-yl]methylamino]acetic acid.

What is the SMILES notation for formaldehyde;2-[[(1R,4S)-4-[4-[(2-methoxybenzoyl)amino]piperidine-1-carbonyl]-1-phenyl-3,4-dihydro-2H-naphthalen-1-yl]methylamino]acetic acid?

The canonical SMILES for formaldehyde;2-[[(1R,4S)-4-[4-[(2-methoxybenzoyl)amino]piperidine-1-carbonyl]-1-phenyl-3,4-dihydro-2H-naphthalen-1-yl]methylamino]acetic acid is C=O.COc1ccccc1C(=O)NC1CCN(C(=O)[C@H]2CC[C@@](CNCC(=O)O)(c3ccccc3)c3ccccc32)CC1.

What is the InChIKey of formaldehyde;2-[[(1R,4S)-4-[4-[(2-methoxybenzoyl)amino]piperidine-1-carbonyl]-1-phenyl-3,4-dihydro-2H-naphthalen-1-yl]methylamino]acetic acid?

The InChIKey is DTABRSXTYRGNGV-SWRBPUJSSA-N. The full InChI is InChI=1S/C33H37N3O5.CH2O/c1-41-29-14-8-6-12-27(29)31(39)35-24-16-19-36(20-17-24)32(40)26-15-18-33(22-34-21-30(37)38,23-9-3-2-4-10-23)28-13-7-5-11-25(26)28;1-2/h2-14,24,26,34H,15-22H2,1H3,(H,35,39)(H,37,38);1H2/t26-,33+;/m0./s1.

What are the key properties of formaldehyde;2-[[(1R,4S)-4-[4-[(2-methoxybenzoyl)amino]piperidine-1-carbonyl]-1-phenyl-3,4-dihydro-2H-naphthalen-1-yl]methylamino]acetic acid?

formaldehyde;2-[[(1R,4S)-4-[4-[(2-methoxybenzoyl)amino]piperidine-1-carbonyl]-1-phenyl-3,4-dihydro-2H-naphthalen-1-yl]methylamino]acetic acid has a molecular weight of 585.70 g/mol, XLogP of 3.77, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for formaldehyde;2-[[(1R,4S)-4-[4-[(2-methoxybenzoyl)amino]piperidine-1-carbonyl]-1-phenyl-3,4-dihydro-2H-naphthalen-1-yl]methylamino]acetic acid is sourced from PubChem (CID 143659979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).