1-amino-N-[2-oxo-2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;1,4-xylene

C37H46N4O3 — CID 143057849

About 1-amino-N-[2-oxo-2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;1,4-xylene

1-amino-N-[2-oxo-2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;1,4-xylene (PubChem CID 143057849) has the molecular formula C37H46N4O3 and a molecular weight of 594.80 g/mol. Its IUPAC name is 1-amino-N-[2-oxo-2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;1,4-xylene.

Molecular Properties

• Compound Name: 1-amino-N-[2-oxo-2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;1,4-xylene
• PubChem CID: 143057849
• Molecular Formula: C37H46N4O3
• Molecular Weight: 594.80 g/mol
• Exact Mass: 594.36
• IUPAC Name: 1-amino-N-[2-oxo-2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;1,4-xylene
• SMILES: Cc1ccc(C)cc1.NC1c2ccccc2CCC1C(=O)NCC(=O)N1CCC(c2ccccc2CN2CCCC2=O)CC1
• InChI: InChI=1S/C29H36N4O3.C8H10/c30-28-24-9-4-1-6-20(24)11-12-25(28)29(36)31-18-27(35)32-16-13-21(14-17-32)23-8-3-2-7-22(23)19-33-15-5-10-26(33)34;1-7-3-5-8(2)6-4-7/h1-4,6-9,21,25,28H,5,10-19,30H2,(H,31,36);3-6H,1-2H3
• InChIKey: LPWMNXYCJZGKJW-UHFFFAOYSA-N
• XLogP: 5.20
• TPSA: 95.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	594.80
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-oxo-2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;1,4-xylene?

The IUPAC name of 1-amino-N-[2-oxo-2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;1,4-xylene (CID 143057849) is 1-amino-N-[2-oxo-2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;1,4-xylene.

What is the SMILES notation for 1-amino-N-[2-oxo-2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;1,4-xylene?

The canonical SMILES for 1-amino-N-[2-oxo-2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;1,4-xylene is Cc1ccc(C)cc1.NC1c2ccccc2CCC1C(=O)NCC(=O)N1CCC(c2ccccc2CN2CCCC2=O)CC1.

What is the InChIKey of 1-amino-N-[2-oxo-2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;1,4-xylene?

The InChIKey is LPWMNXYCJZGKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N4O3.C8H10/c30-28-24-9-4-1-6-20(24)11-12-25(28)29(36)31-18-27(35)32-16-13-21(14-17-32)23-8-3-2-7-22(23)19-33-15-5-10-26(33)34;1-7-3-5-8(2)6-4-7/h1-4,6-9,21,25,28H,5,10-19,30H2,(H,31,36);3-6H,1-2H3.

What are the key properties of 1-amino-N-[2-oxo-2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;1,4-xylene?

1-amino-N-[2-oxo-2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;1,4-xylene has a molecular weight of 594.80 g/mol, XLogP of 5.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-amino-N-[2-oxo-2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;1,4-xylene is sourced from PubChem (CID 143057849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).