1,2,5-trimethyl-N-[(2S,3R)-6-oxo-2-phenylpiperidin-3-yl]pyrrole-3-carboxamide

C19H23N3O2 — CID 146130842

IUPAC1,2,5-trimethyl-N-[(2S,3R)-6-oxo-2-phenylpiperidin-3-yl]pyrrole-3-carboxamide
SMILESCc1cc(C(=O)N[C@@H]2CCC(=O)N[C@H]2c2ccccc2)c(C)n1C
InChIInChI=1S/C19H23N3O2/c1-12-11-15(13(2)22(12)3)19(24)20-16-9-10-17(23)21-18(16)14-7-5-4-6-8-14/h4-8,11,16,18H,9-10H2,1-3H3,(H,20,24)(H,21,23)/t16-,18+/m1/s1
InChIKeyYETPTVHYVHLBJR-AEFFLSMTSA-N
MW325.41 g/mol
LogP2.39
Rot. Bonds3

About 1,2,5-trimethyl-N-[(2S,3R)-6-oxo-2-phenylpiperidin-3-yl]pyrrole-3-carboxamide

1,2,5-trimethyl-N-[(2S,3R)-6-oxo-2-phenylpiperidin-3-yl]pyrrole-3-carboxamide (PubChem CID 146130842) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 1,2,5-trimethyl-N-[(2S,3R)-6-oxo-2-phenylpiperidin-3-yl]pyrrole-3-carboxamide.

Molecular Properties

Compound Name1,2,5-trimethyl-N-[(2S,3R)-6-oxo-2-phenylpiperidin-3-yl]pyrrole-3-carboxamide
PubChem CID146130842
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name1,2,5-trimethyl-N-[(2S,3R)-6-oxo-2-phenylpiperidin-3-yl]pyrrole-3-carboxamide
SMILESCc1cc(C(=O)N[C@@H]2CCC(=O)N[C@H]2c2ccccc2)c(C)n1C
InChIInChI=1S/C19H23N3O2/c1-12-11-15(13(2)22(12)3)19(24)20-16-9-10-17(23)21-18(16)14-7-5-4-6-8-14/h4-8,11,16,18H,9-10H2,1-3H3,(H,20,24)(H,21,23)/t16-,18+/m1/s1
InChIKeyYETPTVHYVHLBJR-AEFFLSMTSA-N
XLogP2.39
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2,5-trimethyl-N-[(2S,3R)-6-oxo-2-phenylpiperidin-3-yl]pyrrole-3-carboxamide?
The IUPAC name of 1,2,5-trimethyl-N-[(2S,3R)-6-oxo-2-phenylpiperidin-3-yl]pyrrole-3-carboxamide (CID 146130842) is 1,2,5-trimethyl-N-[(2S,3R)-6-oxo-2-phenylpiperidin-3-yl]pyrrole-3-carboxamide.
What is the SMILES notation for 1,2,5-trimethyl-N-[(2S,3R)-6-oxo-2-phenylpiperidin-3-yl]pyrrole-3-carboxamide?
The canonical SMILES for 1,2,5-trimethyl-N-[(2S,3R)-6-oxo-2-phenylpiperidin-3-yl]pyrrole-3-carboxamide is Cc1cc(C(=O)N[C@@H]2CCC(=O)N[C@H]2c2ccccc2)c(C)n1C.
What is the InChIKey of 1,2,5-trimethyl-N-[(2S,3R)-6-oxo-2-phenylpiperidin-3-yl]pyrrole-3-carboxamide?
The InChIKey is YETPTVHYVHLBJR-AEFFLSMTSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-12-11-15(13(2)22(12)3)19(24)20-16-9-10-17(23)21-18(16)14-7-5-4-6-8-14/h4-8,11,16,18H,9-10H2,1-3H3,(H,20,24)(H,21,23)/t16-,18+/m1/s1.
What are the key properties of 1,2,5-trimethyl-N-[(2S,3R)-6-oxo-2-phenylpiperidin-3-yl]pyrrole-3-carboxamide?
1,2,5-trimethyl-N-[(2S,3R)-6-oxo-2-phenylpiperidin-3-yl]pyrrole-3-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5-trimethyl-N-[(2S,3R)-6-oxo-2-phenylpiperidin-3-yl]pyrrole-3-carboxamide is sourced from PubChem (CID 146130842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).