N-[4-[4-(4-benzylpiperidin-1-yl)but-1-ynyl]phenyl]acetamide

C24H28N2O — CID 10737263

IUPACN-[4-[4-(4-benzylpiperidin-1-yl)but-1-ynyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C#CCCN2CCC(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C24H28N2O/c1-20(27)25-24-12-10-21(11-13-24)7-5-6-16-26-17-14-23(15-18-26)19-22-8-3-2-4-9-22/h2-4,8-13,23H,6,14-19H2,1H3,(H,25,27)
InChIKeyXRVOIGOCEXMZCZ-UHFFFAOYSA-N
MW360.50 g/mol
LogP4.34
Rot. Bonds5

About N-[4-[4-(4-benzylpiperidin-1-yl)but-1-ynyl]phenyl]acetamide

N-[4-[4-(4-benzylpiperidin-1-yl)but-1-ynyl]phenyl]acetamide (PubChem CID 10737263) has the molecular formula C24H28N2O and a molecular weight of 360.50 g/mol. Its IUPAC name is N-[4-[4-(4-benzylpiperidin-1-yl)but-1-ynyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(4-benzylpiperidin-1-yl)but-1-ynyl]phenyl]acetamide
PubChem CID10737263
Molecular FormulaC24H28N2O
Molecular Weight360.50 g/mol
Exact Mass360.22
IUPAC NameN-[4-[4-(4-benzylpiperidin-1-yl)but-1-ynyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C#CCCN2CCC(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C24H28N2O/c1-20(27)25-24-12-10-21(11-13-24)7-5-6-16-26-17-14-23(15-18-26)19-22-8-3-2-4-9-22/h2-4,8-13,23H,6,14-19H2,1H3,(H,25,27)
InChIKeyXRVOIGOCEXMZCZ-UHFFFAOYSA-N
XLogP4.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 54.34
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-[4-[4-(4-benzylpiperidin-1-yl)but-1-ynyl]phenyl]acetamide?
The IUPAC name of N-[4-[4-(4-benzylpiperidin-1-yl)but-1-ynyl]phenyl]acetamide (CID 10737263) is N-[4-[4-(4-benzylpiperidin-1-yl)but-1-ynyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[4-(4-benzylpiperidin-1-yl)but-1-ynyl]phenyl]acetamide?
The canonical SMILES for N-[4-[4-(4-benzylpiperidin-1-yl)but-1-ynyl]phenyl]acetamide is CC(=O)Nc1ccc(C#CCCN2CCC(Cc3ccccc3)CC2)cc1.
What is the InChIKey of N-[4-[4-(4-benzylpiperidin-1-yl)but-1-ynyl]phenyl]acetamide?
The InChIKey is XRVOIGOCEXMZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O/c1-20(27)25-24-12-10-21(11-13-24)7-5-6-16-26-17-14-23(15-18-26)19-22-8-3-2-4-9-22/h2-4,8-13,23H,6,14-19H2,1H3,(H,25,27).
What are the key properties of N-[4-[4-(4-benzylpiperidin-1-yl)but-1-ynyl]phenyl]acetamide?
N-[4-[4-(4-benzylpiperidin-1-yl)but-1-ynyl]phenyl]acetamide has a molecular weight of 360.50 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(4-benzylpiperidin-1-yl)but-1-ynyl]phenyl]acetamide is sourced from PubChem (CID 10737263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).