(2S)-N-[3-[4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide

C24H34N4O4 — CID 36550487

About (2S)-N-[3-[4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide

(2S)-N-[3-[4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide (PubChem CID 36550487) has the molecular formula C24H34N4O4 and a molecular weight of 442.56 g/mol. Its IUPAC name is (2S)-N-[3-[4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide.

Molecular Properties

• Compound Name: (2S)-N-[3-[4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide
• PubChem CID: 36550487
• Molecular Formula: C24H34N4O4
• Molecular Weight: 442.56 g/mol
• Exact Mass: 442.26
• IUPAC Name: (2S)-N-[3-[4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide
• SMILES: C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)CC1
• InChI: InChI=1S/C24H34N4O4/c1-18-6-2-3-10-28(18)22(29)17-26-11-13-27(14-12-26)24(31)19-7-4-8-20(16-19)25-23(30)21-9-5-15-32-21/h4,7-8,16,18,21H,2-3,5-6,9-15,17H2,1H3,(H,25,30)/t18-,21+/m1/s1
• InChIKey: LXEFWTFHHFNTAP-NQIIRXRSSA-N
• XLogP: 1.96
• TPSA: 82.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.56
LogP ≤ 5	1.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-[4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide?

The IUPAC name of (2S)-N-[3-[4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide (CID 36550487) is (2S)-N-[3-[4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide.

What is the SMILES notation for (2S)-N-[3-[4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide?

The canonical SMILES for (2S)-N-[3-[4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide is C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)CC1.

What is the InChIKey of (2S)-N-[3-[4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide?

The InChIKey is LXEFWTFHHFNTAP-NQIIRXRSSA-N. The full InChI is InChI=1S/C24H34N4O4/c1-18-6-2-3-10-28(18)22(29)17-26-11-13-27(14-12-26)24(31)19-7-4-8-20(16-19)25-23(30)21-9-5-15-32-21/h4,7-8,16,18,21H,2-3,5-6,9-15,17H2,1H3,(H,25,30)/t18-,21+/m1/s1.

What are the key properties of (2S)-N-[3-[4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide?

(2S)-N-[3-[4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide has a molecular weight of 442.56 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-[3-[4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 36550487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).