N-[3-cyano-4-(4-hydroxypiperidin-1-yl)phenyl]-2-[(1R)-cyclopent-2-en-1-yl]acetamide

C19H23N3O2 — CID 95986876

IUPACN-[3-cyano-4-(4-hydroxypiperidin-1-yl)phenyl]-2-[(1R)-cyclopent-2-en-1-yl]acetamide
SMILESN#Cc1cc(NC(=O)C[C@@H]2C=CCC2)ccc1N1CCC(O)CC1
InChIInChI=1S/C19H23N3O2/c20-13-15-12-16(21-19(24)11-14-3-1-2-4-14)5-6-18(15)22-9-7-17(23)8-10-22/h1,3,5-6,12,14,17,23H,2,4,7-11H2,(H,21,24)/t14-/m1/s1
InChIKeyDTMPQNREFWAMHD-CQSZACIVSA-N
MW325.41 g/mol
LogP2.81
Rot. Bonds4

About N-[3-cyano-4-(4-hydroxypiperidin-1-yl)phenyl]-2-[(1R)-cyclopent-2-en-1-yl]acetamide

N-[3-cyano-4-(4-hydroxypiperidin-1-yl)phenyl]-2-[(1R)-cyclopent-2-en-1-yl]acetamide (PubChem CID 95986876) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[3-cyano-4-(4-hydroxypiperidin-1-yl)phenyl]-2-[(1R)-cyclopent-2-en-1-yl]acetamide.

Molecular Properties

Compound NameN-[3-cyano-4-(4-hydroxypiperidin-1-yl)phenyl]-2-[(1R)-cyclopent-2-en-1-yl]acetamide
PubChem CID95986876
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-[3-cyano-4-(4-hydroxypiperidin-1-yl)phenyl]-2-[(1R)-cyclopent-2-en-1-yl]acetamide
SMILESN#Cc1cc(NC(=O)C[C@@H]2C=CCC2)ccc1N1CCC(O)CC1
InChIInChI=1S/C19H23N3O2/c20-13-15-12-16(21-19(24)11-14-3-1-2-4-14)5-6-18(15)22-9-7-17(23)8-10-22/h1,3,5-6,12,14,17,23H,2,4,7-11H2,(H,21,24)/t14-/m1/s1
InChIKeyDTMPQNREFWAMHD-CQSZACIVSA-N
XLogP2.81
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-cyano-4-(4-hydroxypiperidin-1-yl)phenyl]-2-[(1R)-cyclopent-2-en-1-yl]acetamide?
The IUPAC name of N-[3-cyano-4-(4-hydroxypiperidin-1-yl)phenyl]-2-[(1R)-cyclopent-2-en-1-yl]acetamide (CID 95986876) is N-[3-cyano-4-(4-hydroxypiperidin-1-yl)phenyl]-2-[(1R)-cyclopent-2-en-1-yl]acetamide.
What is the SMILES notation for N-[3-cyano-4-(4-hydroxypiperidin-1-yl)phenyl]-2-[(1R)-cyclopent-2-en-1-yl]acetamide?
The canonical SMILES for N-[3-cyano-4-(4-hydroxypiperidin-1-yl)phenyl]-2-[(1R)-cyclopent-2-en-1-yl]acetamide is N#Cc1cc(NC(=O)C[C@@H]2C=CCC2)ccc1N1CCC(O)CC1.
What is the InChIKey of N-[3-cyano-4-(4-hydroxypiperidin-1-yl)phenyl]-2-[(1R)-cyclopent-2-en-1-yl]acetamide?
The InChIKey is DTMPQNREFWAMHD-CQSZACIVSA-N. The full InChI is InChI=1S/C19H23N3O2/c20-13-15-12-16(21-19(24)11-14-3-1-2-4-14)5-6-18(15)22-9-7-17(23)8-10-22/h1,3,5-6,12,14,17,23H,2,4,7-11H2,(H,21,24)/t14-/m1/s1.
What are the key properties of N-[3-cyano-4-(4-hydroxypiperidin-1-yl)phenyl]-2-[(1R)-cyclopent-2-en-1-yl]acetamide?
N-[3-cyano-4-(4-hydroxypiperidin-1-yl)phenyl]-2-[(1R)-cyclopent-2-en-1-yl]acetamide has a molecular weight of 325.41 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyano-4-(4-hydroxypiperidin-1-yl)phenyl]-2-[(1R)-cyclopent-2-en-1-yl]acetamide is sourced from PubChem (CID 95986876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).