N-[(3-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide

C24H31FN2O — CID 164851918

IUPACN-[(3-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide
SMILESCCCC(=O)N(Cc1cccc(F)c1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C24H31FN2O/c1-2-7-24(28)27(19-21-10-6-11-22(25)18-21)23-13-16-26(17-14-23)15-12-20-8-4-3-5-9-20/h3-6,8-11,18,23H,2,7,12-17,19H2,1H3
InChIKeyHKNPKFPQCSRMQU-UHFFFAOYSA-N
MW382.52 g/mol
LogP4.66
Rot. Bonds8

About N-[(3-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide

N-[(3-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide (PubChem CID 164851918) has the molecular formula C24H31FN2O and a molecular weight of 382.52 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide
PubChem CID164851918
Molecular FormulaC24H31FN2O
Molecular Weight382.52 g/mol
Exact Mass382.24
IUPAC NameN-[(3-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide
SMILESCCCC(=O)N(Cc1cccc(F)c1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C24H31FN2O/c1-2-7-24(28)27(19-21-10-6-11-22(25)18-21)23-13-16-26(17-14-23)15-12-20-8-4-3-5-9-20/h3-6,8-11,18,23H,2,7,12-17,19H2,1H3
InChIKeyHKNPKFPQCSRMQU-UHFFFAOYSA-N
XLogP4.66
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.52
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide (CID 164851918) is N-[(3-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide is CCCC(=O)N(Cc1cccc(F)c1)C1CCN(CCc2ccccc2)CC1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide?
The InChIKey is HKNPKFPQCSRMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN2O/c1-2-7-24(28)27(19-21-10-6-11-22(25)18-21)23-13-16-26(17-14-23)15-12-20-8-4-3-5-9-20/h3-6,8-11,18,23H,2,7,12-17,19H2,1H3.
What are the key properties of N-[(3-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide?
N-[(3-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide has a molecular weight of 382.52 g/mol, XLogP of 4.66, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide is sourced from PubChem (CID 164851918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).