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

C24H29ClN4O2 — CID 56966928

IUPAC(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-N-(4-methyl-2-pyridinyl)-5-oxopyrrolidine-2-carboxamide
SMILESCc1ccnc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)c1
InChIInChI=1S/C24H29ClN4O2/c1-16-7-10-26-22(13-16)27-24(31)21-5-6-23(30)29(21)19-8-11-28(12-9-19)15-18-3-4-20(25)17(2)14-18/h3-4,7,10,13-14,19,21H,5-6,8-9,11-12,15H2,1-2H3,(H,26,27,31)/t21-/m1/s1
InChIKeyPHHYBEHODHLJBX-OAQYLSRUSA-N
MW440.98 g/mol
LogP3.95
Rot. Bonds5

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

(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-N-(4-methyl-2-pyridinyl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 56966928) has the molecular formula C24H29ClN4O2 and a molecular weight of 440.98 g/mol. Its IUPAC name is (2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-N-(4-methyl-2-pyridinyl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-N-(4-methyl-2-pyridinyl)-5-oxopyrrolidine-2-carboxamide
PubChem CID56966928
Molecular FormulaC24H29ClN4O2
Molecular Weight440.98 g/mol
Exact Mass440.20
IUPAC Name(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-N-(4-methyl-2-pyridinyl)-5-oxopyrrolidine-2-carboxamide
SMILESCc1ccnc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)c1
InChIInChI=1S/C24H29ClN4O2/c1-16-7-10-26-22(13-16)27-24(31)21-5-6-23(30)29(21)19-8-11-28(12-9-19)15-18-3-4-20(25)17(2)14-18/h3-4,7,10,13-14,19,21H,5-6,8-9,11-12,15H2,1-2H3,(H,26,27,31)/t21-/m1/s1
InChIKeyPHHYBEHODHLJBX-OAQYLSRUSA-N
XLogP3.95
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.98
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-N-(4-methyl-2-pyridinyl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-N-(4-methyl-2-pyridinyl)-5-oxopyrrolidine-2-carboxamide (CID 56966928) is (2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-N-(4-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-methyl-2-pyridinyl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-N-(4-methyl-2-pyridinyl)-5-oxopyrrolidine-2-carboxamide is Cc1ccnc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)c1.
What is the InChIKey of (2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-N-(4-methyl-2-pyridinyl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is PHHYBEHODHLJBX-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H29ClN4O2/c1-16-7-10-26-22(13-16)27-24(31)21-5-6-23(30)29(21)19-8-11-28(12-9-19)15-18-3-4-20(25)17(2)14-18/h3-4,7,10,13-14,19,21H,5-6,8-9,11-12,15H2,1-2H3,(H,26,27,31)/t21-/m1/s1.
What are the key properties of (2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-N-(4-methyl-2-pyridinyl)-5-oxopyrrolidine-2-carboxamide?
(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-N-(4-methyl-2-pyridinyl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 440.98 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 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-methyl-2-pyridinyl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 56966928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).