N-[1-[4-[2-[4-(2-oxopiperidin-1-yl)phenyl]ethynyl]phenyl]propan-2-yl]acetamide

C24H26N2O2 — CID 66635232

IUPACN-[1-[4-[2-[4-(2-oxopiperidin-1-yl)phenyl]ethynyl]phenyl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)Cc1ccc(C#Cc2ccc(N3CCCCC3=O)cc2)cc1
InChIInChI=1S/C24H26N2O2/c1-18(25-19(2)27)17-22-10-8-20(9-11-22)6-7-21-12-14-23(15-13-21)26-16-4-3-5-24(26)28/h8-15,18H,3-5,16-17H2,1-2H3,(H,25,27)
InChIKeyKTNDHYBKBDYQRO-UHFFFAOYSA-N
MW374.48 g/mol
LogP3.67
Rot. Bonds4

About N-[1-[4-[2-[4-(2-oxopiperidin-1-yl)phenyl]ethynyl]phenyl]propan-2-yl]acetamide

N-[1-[4-[2-[4-(2-oxopiperidin-1-yl)phenyl]ethynyl]phenyl]propan-2-yl]acetamide (PubChem CID 66635232) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is N-[1-[4-[2-[4-(2-oxopiperidin-1-yl)phenyl]ethynyl]phenyl]propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-[4-[2-[4-(2-oxopiperidin-1-yl)phenyl]ethynyl]phenyl]propan-2-yl]acetamide
PubChem CID66635232
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC NameN-[1-[4-[2-[4-(2-oxopiperidin-1-yl)phenyl]ethynyl]phenyl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)Cc1ccc(C#Cc2ccc(N3CCCCC3=O)cc2)cc1
InChIInChI=1S/C24H26N2O2/c1-18(25-19(2)27)17-22-10-8-20(9-11-22)6-7-21-12-14-23(15-13-21)26-16-4-3-5-24(26)28/h8-15,18H,3-5,16-17H2,1-2H3,(H,25,27)
InChIKeyKTNDHYBKBDYQRO-UHFFFAOYSA-N
XLogP3.67
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[2-[4-(2-oxopiperidin-1-yl)phenyl]ethynyl]phenyl]propan-2-yl]acetamide?
The IUPAC name of N-[1-[4-[2-[4-(2-oxopiperidin-1-yl)phenyl]ethynyl]phenyl]propan-2-yl]acetamide (CID 66635232) is N-[1-[4-[2-[4-(2-oxopiperidin-1-yl)phenyl]ethynyl]phenyl]propan-2-yl]acetamide.
What is the SMILES notation for N-[1-[4-[2-[4-(2-oxopiperidin-1-yl)phenyl]ethynyl]phenyl]propan-2-yl]acetamide?
The canonical SMILES for N-[1-[4-[2-[4-(2-oxopiperidin-1-yl)phenyl]ethynyl]phenyl]propan-2-yl]acetamide is CC(=O)NC(C)Cc1ccc(C#Cc2ccc(N3CCCCC3=O)cc2)cc1.
What is the InChIKey of N-[1-[4-[2-[4-(2-oxopiperidin-1-yl)phenyl]ethynyl]phenyl]propan-2-yl]acetamide?
The InChIKey is KTNDHYBKBDYQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2/c1-18(25-19(2)27)17-22-10-8-20(9-11-22)6-7-21-12-14-23(15-13-21)26-16-4-3-5-24(26)28/h8-15,18H,3-5,16-17H2,1-2H3,(H,25,27).
What are the key properties of N-[1-[4-[2-[4-(2-oxopiperidin-1-yl)phenyl]ethynyl]phenyl]propan-2-yl]acetamide?
N-[1-[4-[2-[4-(2-oxopiperidin-1-yl)phenyl]ethynyl]phenyl]propan-2-yl]acetamide has a molecular weight of 374.48 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[2-[4-(2-oxopiperidin-1-yl)phenyl]ethynyl]phenyl]propan-2-yl]acetamide is sourced from PubChem (CID 66635232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).