3-[4-(1-cyclopentyl-4-methylpiperidin-4-yl)anilino]-5-[(2R,3S)-3-[2-(dimethylamino)-2-oxoethyl]-2-methylpiperidin-1-yl]pyrazine-2-carboxamide

C32H47N7O2 — CID 158937659

About 3-[4-(1-cyclopentyl-4-methylpiperidin-4-yl)anilino]-5-[(2R,3S)-3-[2-(dimethylamino)-2-oxoethyl]-2-methylpiperidin-1-yl]pyrazine-2-carboxamide

3-[4-(1-cyclopentyl-4-methylpiperidin-4-yl)anilino]-5-[(2R,3S)-3-[2-(dimethylamino)-2-oxoethyl]-2-methylpiperidin-1-yl]pyrazine-2-carboxamide (PubChem CID 158937659) has the molecular formula C32H47N7O2 and a molecular weight of 561.78 g/mol. Its IUPAC name is 3-[4-(1-cyclopentyl-4-methylpiperidin-4-yl)anilino]-5-[(2R,3S)-3-[2-(dimethylamino)-2-oxoethyl]-2-methylpiperidin-1-yl]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 3-[4-(1-cyclopentyl-4-methylpiperidin-4-yl)anilino]-5-[(2R,3S)-3-[2-(dimethylamino)-2-oxoethyl]-2-methylpiperidin-1-yl]pyrazine-2-carboxamide
• PubChem CID: 158937659
• Molecular Formula: C32H47N7O2
• Molecular Weight: 561.78 g/mol
• Exact Mass: 561.38
• IUPAC Name: 3-[4-(1-cyclopentyl-4-methylpiperidin-4-yl)anilino]-5-[(2R,3S)-3-[2-(dimethylamino)-2-oxoethyl]-2-methylpiperidin-1-yl]pyrazine-2-carboxamide
• SMILES: C[C@@H]1[C@H](CC(=O)N(C)C)CCCN1c1cnc(C(N)=O)c(Nc2ccc(C3(C)CCN(C4CCCC4)CC3)cc2)n1
• InChI: InChI=1S/C32H47N7O2/c1-22-23(20-28(40)37(3)4)8-7-17-39(22)27-21-34-29(30(33)41)31(36-27)35-25-13-11-24(12-14-25)32(2)15-18-38(19-16-32)26-9-5-6-10-26/h11-14,21-23,26H,5-10,15-20H2,1-4H3,(H2,33,41)(H,35,36)/t22-,23+/m1/s1
• InChIKey: FOYZUDSZQPQTCU-PKTZIBPZSA-N
• XLogP: 4.70
• TPSA: 107.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	561.78
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-cyclopentyl-4-methylpiperidin-4-yl)anilino]-5-[(2R,3S)-3-[2-(dimethylamino)-2-oxoethyl]-2-methylpiperidin-1-yl]pyrazine-2-carboxamide?

The IUPAC name of 3-[4-(1-cyclopentyl-4-methylpiperidin-4-yl)anilino]-5-[(2R,3S)-3-[2-(dimethylamino)-2-oxoethyl]-2-methylpiperidin-1-yl]pyrazine-2-carboxamide (CID 158937659) is 3-[4-(1-cyclopentyl-4-methylpiperidin-4-yl)anilino]-5-[(2R,3S)-3-[2-(dimethylamino)-2-oxoethyl]-2-methylpiperidin-1-yl]pyrazine-2-carboxamide.

What is the SMILES notation for 3-[4-(1-cyclopentyl-4-methylpiperidin-4-yl)anilino]-5-[(2R,3S)-3-[2-(dimethylamino)-2-oxoethyl]-2-methylpiperidin-1-yl]pyrazine-2-carboxamide?

The canonical SMILES for 3-[4-(1-cyclopentyl-4-methylpiperidin-4-yl)anilino]-5-[(2R,3S)-3-[2-(dimethylamino)-2-oxoethyl]-2-methylpiperidin-1-yl]pyrazine-2-carboxamide is C[C@@H]1[C@H](CC(=O)N(C)C)CCCN1c1cnc(C(N)=O)c(Nc2ccc(C3(C)CCN(C4CCCC4)CC3)cc2)n1.

What is the InChIKey of 3-[4-(1-cyclopentyl-4-methylpiperidin-4-yl)anilino]-5-[(2R,3S)-3-[2-(dimethylamino)-2-oxoethyl]-2-methylpiperidin-1-yl]pyrazine-2-carboxamide?

The InChIKey is FOYZUDSZQPQTCU-PKTZIBPZSA-N. The full InChI is InChI=1S/C32H47N7O2/c1-22-23(20-28(40)37(3)4)8-7-17-39(22)27-21-34-29(30(33)41)31(36-27)35-25-13-11-24(12-14-25)32(2)15-18-38(19-16-32)26-9-5-6-10-26/h11-14,21-23,26H,5-10,15-20H2,1-4H3,(H2,33,41)(H,35,36)/t22-,23+/m1/s1.

What are the key properties of 3-[4-(1-cyclopentyl-4-methylpiperidin-4-yl)anilino]-5-[(2R,3S)-3-[2-(dimethylamino)-2-oxoethyl]-2-methylpiperidin-1-yl]pyrazine-2-carboxamide?

3-[4-(1-cyclopentyl-4-methylpiperidin-4-yl)anilino]-5-[(2R,3S)-3-[2-(dimethylamino)-2-oxoethyl]-2-methylpiperidin-1-yl]pyrazine-2-carboxamide has a molecular weight of 561.78 g/mol, XLogP of 4.70, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(1-cyclopentyl-4-methylpiperidin-4-yl)anilino]-5-[(2R,3S)-3-[2-(dimethylamino)-2-oxoethyl]-2-methylpiperidin-1-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 158937659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).