N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-phenylacetamide

C22H28N2O — CID 10088398

IUPACN-[2-(1-benzylpiperidin-4-yl)ethyl]-N-phenylacetamide
SMILESCC(=O)N(CCC1CCN(Cc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C22H28N2O/c1-19(25)24(22-10-6-3-7-11-22)17-14-20-12-15-23(16-13-20)18-21-8-4-2-5-9-21/h2-11,20H,12-18H2,1H3
InChIKeyPVDWMIZKHNFLPF-UHFFFAOYSA-N
MW336.48 g/mol
LogP4.34
Rot. Bonds6

About N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-phenylacetamide

N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-phenylacetamide (PubChem CID 10088398) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-phenylacetamide.

Molecular Properties

Compound NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-N-phenylacetamide
PubChem CID10088398
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-N-phenylacetamide
SMILESCC(=O)N(CCC1CCN(Cc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C22H28N2O/c1-19(25)24(22-10-6-3-7-11-22)17-14-20-12-15-23(16-13-20)18-21-8-4-2-5-9-21/h2-11,20H,12-18H2,1H3
InChIKeyPVDWMIZKHNFLPF-UHFFFAOYSA-N
XLogP4.34
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-phenylacetamide?
The IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-phenylacetamide (CID 10088398) is N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-phenylacetamide.
What is the SMILES notation for N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-phenylacetamide?
The canonical SMILES for N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-phenylacetamide is CC(=O)N(CCC1CCN(Cc2ccccc2)CC1)c1ccccc1.
What is the InChIKey of N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-phenylacetamide?
The InChIKey is PVDWMIZKHNFLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O/c1-19(25)24(22-10-6-3-7-11-22)17-14-20-12-15-23(16-13-20)18-21-8-4-2-5-9-21/h2-11,20H,12-18H2,1H3.
What are the key properties of N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-phenylacetamide?
N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-phenylacetamide has a molecular weight of 336.48 g/mol, XLogP of 4.34, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-phenylacetamide is sourced from PubChem (CID 10088398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).