(2S,4R)-N-cyclohexyl-4-hydroxy-1-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]pyrrolidine-2-carboxamide

C25H37N3O3 — CID 155881144

IUPAC(2S,4R)-N-cyclohexyl-4-hydroxy-1-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]pyrrolidine-2-carboxamide
SMILESCc1ccccc1CC(=O)N1CCC(N2C[C@H](O)C[C@H]2C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C25H37N3O3/c1-18-7-5-6-8-19(18)15-24(30)27-13-11-21(12-14-27)28-17-22(29)16-23(28)25(31)26-20-9-3-2-4-10-20/h5-8,20-23,29H,2-4,9-17H2,1H3,(H,26,31)/t22-,23+/m1/s1
InChIKeyQSXCRLDINLHOHU-PKTZIBPZSA-N
MW427.59 g/mol
LogP2.41
Rot. Bonds5

About (2S,4R)-N-cyclohexyl-4-hydroxy-1-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]pyrrolidine-2-carboxamide

(2S,4R)-N-cyclohexyl-4-hydroxy-1-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]pyrrolidine-2-carboxamide (PubChem CID 155881144) has the molecular formula C25H37N3O3 and a molecular weight of 427.59 g/mol. Its IUPAC name is (2S,4R)-N-cyclohexyl-4-hydroxy-1-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-N-cyclohexyl-4-hydroxy-1-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]pyrrolidine-2-carboxamide
PubChem CID155881144
Molecular FormulaC25H37N3O3
Molecular Weight427.59 g/mol
Exact Mass427.28
IUPAC Name(2S,4R)-N-cyclohexyl-4-hydroxy-1-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]pyrrolidine-2-carboxamide
SMILESCc1ccccc1CC(=O)N1CCC(N2C[C@H](O)C[C@H]2C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C25H37N3O3/c1-18-7-5-6-8-19(18)15-24(30)27-13-11-21(12-14-27)28-17-22(29)16-23(28)25(31)26-20-9-3-2-4-10-20/h5-8,20-23,29H,2-4,9-17H2,1H3,(H,26,31)/t22-,23+/m1/s1
InChIKeyQSXCRLDINLHOHU-PKTZIBPZSA-N
XLogP2.41
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.59
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-N-cyclohexyl-4-hydroxy-1-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-N-cyclohexyl-4-hydroxy-1-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]pyrrolidine-2-carboxamide (CID 155881144) is (2S,4R)-N-cyclohexyl-4-hydroxy-1-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-N-cyclohexyl-4-hydroxy-1-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-N-cyclohexyl-4-hydroxy-1-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]pyrrolidine-2-carboxamide is Cc1ccccc1CC(=O)N1CCC(N2C[C@H](O)C[C@H]2C(=O)NC2CCCCC2)CC1.
What is the InChIKey of (2S,4R)-N-cyclohexyl-4-hydroxy-1-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]pyrrolidine-2-carboxamide?
The InChIKey is QSXCRLDINLHOHU-PKTZIBPZSA-N. The full InChI is InChI=1S/C25H37N3O3/c1-18-7-5-6-8-19(18)15-24(30)27-13-11-21(12-14-27)28-17-22(29)16-23(28)25(31)26-20-9-3-2-4-10-20/h5-8,20-23,29H,2-4,9-17H2,1H3,(H,26,31)/t22-,23+/m1/s1.
What are the key properties of (2S,4R)-N-cyclohexyl-4-hydroxy-1-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]pyrrolidine-2-carboxamide?
(2S,4R)-N-cyclohexyl-4-hydroxy-1-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]pyrrolidine-2-carboxamide has a molecular weight of 427.59 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-N-cyclohexyl-4-hydroxy-1-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 155881144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).