N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,3,5-trimethylbenzamide

C22H27FN2O — CID 23723670

IUPACN-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,3,5-trimethylbenzamide
SMILESCc1cc(C)cc(C(=O)N(C)C2CCCN(Cc3ccccc3F)C2)c1
InChIInChI=1S/C22H27FN2O/c1-16-11-17(2)13-19(12-16)22(26)24(3)20-8-6-10-25(15-20)14-18-7-4-5-9-21(18)23/h4-5,7,9,11-13,20H,6,8,10,14-15H2,1-3H3
InChIKeyLVZFCPBLSNXJPR-UHFFFAOYSA-N
MW354.47 g/mol
LogP4.18
Rot. Bonds4

About N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,3,5-trimethylbenzamide

N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,3,5-trimethylbenzamide (PubChem CID 23723670) has the molecular formula C22H27FN2O and a molecular weight of 354.47 g/mol. Its IUPAC name is N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,3,5-trimethylbenzamide.

Molecular Properties

Compound NameN-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,3,5-trimethylbenzamide
PubChem CID23723670
Molecular FormulaC22H27FN2O
Molecular Weight354.47 g/mol
Exact Mass354.21
IUPAC NameN-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,3,5-trimethylbenzamide
SMILESCc1cc(C)cc(C(=O)N(C)C2CCCN(Cc3ccccc3F)C2)c1
InChIInChI=1S/C22H27FN2O/c1-16-11-17(2)13-19(12-16)22(26)24(3)20-8-6-10-25(15-20)14-18-7-4-5-9-21(18)23/h4-5,7,9,11-13,20H,6,8,10,14-15H2,1-3H3
InChIKeyLVZFCPBLSNXJPR-UHFFFAOYSA-N
XLogP4.18
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,3,5-trimethylbenzamide?
The IUPAC name of N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,3,5-trimethylbenzamide (CID 23723670) is N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,3,5-trimethylbenzamide.
What is the SMILES notation for N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,3,5-trimethylbenzamide?
The canonical SMILES for N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,3,5-trimethylbenzamide is Cc1cc(C)cc(C(=O)N(C)C2CCCN(Cc3ccccc3F)C2)c1.
What is the InChIKey of N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,3,5-trimethylbenzamide?
The InChIKey is LVZFCPBLSNXJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O/c1-16-11-17(2)13-19(12-16)22(26)24(3)20-8-6-10-25(15-20)14-18-7-4-5-9-21(18)23/h4-5,7,9,11-13,20H,6,8,10,14-15H2,1-3H3.
What are the key properties of N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,3,5-trimethylbenzamide?
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,3,5-trimethylbenzamide has a molecular weight of 354.47 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,3,5-trimethylbenzamide is sourced from PubChem (CID 23723670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).