(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-N-[4-(3-cyclopropylpropanoyl)-6-methyl-2-pyridinyl]-5-oxopyrrolidine-2-carboxamide

C30H37ClN4O3 — CID 147434115

About (2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-N-[4-(3-cyclopropylpropanoyl)-6-methyl-2-pyridinyl]-5-oxopyrrolidine-2-carboxamide

(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-N-[4-(3-cyclopropylpropanoyl)-6-methyl-2-pyridinyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 147434115) has the molecular formula C30H37ClN4O3 and a molecular weight of 537.10 g/mol. Its IUPAC name is (2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-N-[4-(3-cyclopropylpropanoyl)-6-methyl-2-pyridinyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: (2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-N-[4-(3-cyclopropylpropanoyl)-6-methyl-2-pyridinyl]-5-oxopyrrolidine-2-carboxamide
• PubChem CID: 147434115
• Molecular Formula: C30H37ClN4O3
• Molecular Weight: 537.10 g/mol
• Exact Mass: 536.26
• IUPAC Name: (2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-N-[4-(3-cyclopropylpropanoyl)-6-methyl-2-pyridinyl]-5-oxopyrrolidine-2-carboxamide
• SMILES: Cc1cc(C(=O)CCC2CC2)cc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)n1
• InChI: InChI=1S/C30H37ClN4O3/c1-19-15-22(5-7-25(19)31)18-34-13-11-24(12-14-34)35-26(8-10-29(35)37)30(38)33-28-17-23(16-20(2)32-28)27(36)9-6-21-3-4-21/h5,7,15-17,21,24,26H,3-4,6,8-14,18H2,1-2H3,(H,32,33,38)/t26-/m1/s1
• InChIKey: DUXPLDLJMLTOLU-AREMUKBSSA-N
• XLogP: 5.32
• TPSA: 82.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	537.10
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-N-[4-(3-cyclopropylpropanoyl)-6-methyl-2-pyridinyl]-5-oxopyrrolidine-2-carboxamide?

The IUPAC name of (2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-N-[4-(3-cyclopropylpropanoyl)-6-methyl-2-pyridinyl]-5-oxopyrrolidine-2-carboxamide (CID 147434115) is (2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-N-[4-(3-cyclopropylpropanoyl)-6-methyl-2-pyridinyl]-5-oxopyrrolidine-2-carboxamide.

What is the SMILES notation for (2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-N-[4-(3-cyclopropylpropanoyl)-6-methyl-2-pyridinyl]-5-oxopyrrolidine-2-carboxamide?

The canonical SMILES for (2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-N-[4-(3-cyclopropylpropanoyl)-6-methyl-2-pyridinyl]-5-oxopyrrolidine-2-carboxamide is Cc1cc(C(=O)CCC2CC2)cc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)n1.

What is the InChIKey of (2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-N-[4-(3-cyclopropylpropanoyl)-6-methyl-2-pyridinyl]-5-oxopyrrolidine-2-carboxamide?

The InChIKey is DUXPLDLJMLTOLU-AREMUKBSSA-N. The full InChI is InChI=1S/C30H37ClN4O3/c1-19-15-22(5-7-25(19)31)18-34-13-11-24(12-14-34)35-26(8-10-29(35)37)30(38)33-28-17-23(16-20(2)32-28)27(36)9-6-21-3-4-21/h5,7,15-17,21,24,26H,3-4,6,8-14,18H2,1-2H3,(H,32,33,38)/t26-/m1/s1.

What are the key properties of (2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-N-[4-(3-cyclopropylpropanoyl)-6-methyl-2-pyridinyl]-5-oxopyrrolidine-2-carboxamide?

(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-N-[4-(3-cyclopropylpropanoyl)-6-methyl-2-pyridinyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 537.10 g/mol, XLogP of 5.32, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-N-[4-(3-cyclopropylpropanoyl)-6-methyl-2-pyridinyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 147434115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).