(2R)-N-[2-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide

C21H29N5O3 — CID 95229818

About (2R)-N-[2-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide

(2R)-N-[2-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide (PubChem CID 95229818) has the molecular formula C21H29N5O3 and a molecular weight of 399.50 g/mol. Its IUPAC name is (2R)-N-[2-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide.

Molecular Properties

• Compound Name: (2R)-N-[2-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide
• PubChem CID: 95229818
• Molecular Formula: C21H29N5O3
• Molecular Weight: 399.50 g/mol
• Exact Mass: 399.23
• IUPAC Name: (2R)-N-[2-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide
• SMILES: CO[C@@H](C(=O)Nc1ccnn1C1CCN(CC(=O)N(C)C)CC1)c1ccccc1
• InChI: InChI=1S/C21H29N5O3/c1-24(2)19(27)15-25-13-10-17(11-14-25)26-18(9-12-22-26)23-21(28)20(29-3)16-7-5-4-6-8-16/h4-9,12,17,20H,10-11,13-15H2,1-3H3,(H,23,28)/t20-/m1/s1
• InChIKey: QXXXCTWRLJUYPJ-HXUWFJFHSA-N
• XLogP: 1.93
• TPSA: 79.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.50
LogP ≤ 5	1.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide?

The IUPAC name of (2R)-N-[2-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide (CID 95229818) is (2R)-N-[2-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide.

What is the SMILES notation for (2R)-N-[2-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide?

The canonical SMILES for (2R)-N-[2-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide is CO[C@@H](C(=O)Nc1ccnn1C1CCN(CC(=O)N(C)C)CC1)c1ccccc1.

What is the InChIKey of (2R)-N-[2-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide?

The InChIKey is QXXXCTWRLJUYPJ-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H29N5O3/c1-24(2)19(27)15-25-13-10-17(11-14-25)26-18(9-12-22-26)23-21(28)20(29-3)16-7-5-4-6-8-16/h4-9,12,17,20H,10-11,13-15H2,1-3H3,(H,23,28)/t20-/m1/s1.

What are the key properties of (2R)-N-[2-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide?

(2R)-N-[2-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide has a molecular weight of 399.50 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[2-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide is sourced from PubChem (CID 95229818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).