N-[(2-fluorophenyl)methyl]-3-[1-(4-phenylbutanoyl)piperidin-3-yl]propanamide

C25H31FN2O2 — CID 45228960

IUPACN-[(2-fluorophenyl)methyl]-3-[1-(4-phenylbutanoyl)piperidin-3-yl]propanamide
SMILESO=C(CCC1CCCN(C(=O)CCCc2ccccc2)C1)NCc1ccccc1F
InChIInChI=1S/C25H31FN2O2/c26-23-13-5-4-12-22(23)18-27-24(29)16-15-21-11-7-17-28(19-21)25(30)14-6-10-20-8-2-1-3-9-20/h1-5,8-9,12-13,21H,6-7,10-11,14-19H2,(H,27,29)
InChIKeyQXWWGTNPJQZRLV-UHFFFAOYSA-N
MW410.53 g/mol
LogP4.48
Rot. Bonds9

About N-[(2-fluorophenyl)methyl]-3-[1-(4-phenylbutanoyl)piperidin-3-yl]propanamide

N-[(2-fluorophenyl)methyl]-3-[1-(4-phenylbutanoyl)piperidin-3-yl]propanamide (PubChem CID 45228960) has the molecular formula C25H31FN2O2 and a molecular weight of 410.53 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-3-[1-(4-phenylbutanoyl)piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-3-[1-(4-phenylbutanoyl)piperidin-3-yl]propanamide
PubChem CID45228960
Molecular FormulaC25H31FN2O2
Molecular Weight410.53 g/mol
Exact Mass410.24
IUPAC NameN-[(2-fluorophenyl)methyl]-3-[1-(4-phenylbutanoyl)piperidin-3-yl]propanamide
SMILESO=C(CCC1CCCN(C(=O)CCCc2ccccc2)C1)NCc1ccccc1F
InChIInChI=1S/C25H31FN2O2/c26-23-13-5-4-12-22(23)18-27-24(29)16-15-21-11-7-17-28(19-21)25(30)14-6-10-20-8-2-1-3-9-20/h1-5,8-9,12-13,21H,6-7,10-11,14-19H2,(H,27,29)
InChIKeyQXWWGTNPJQZRLV-UHFFFAOYSA-N
XLogP4.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.53
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-fluorophenyl)methyl]-3-[1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidin-3-yl]propanamide
CID 45228791
1-[3-(2-chloroethyl)piperidin-1-yl]-4-phenylbutan-1-one
CID 63396050
ethyl 3-[[(3R)-3-[3-[(2-fluorophenyl)methylamino]-3-oxopropyl]piperidine-1-carbonyl]amino]propanoate
CID 25457189
N-[(2-fluorophenyl)methyl]-3-[1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidin-3-yl]propanamide
CID 45197616
N-[(2-fluorophenyl)methyl]-3-[(3S)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidin-3-yl]propanamide
CID 25452182
3-[3-[(2,4-difluorophenyl)methylamino]-3-oxopropyl]-N-phenylpiperidine-1-carboxamide
CID 53138155
3-[(3S)-1-(6-aminopyridine-2-carbonyl)piperidin-3-yl]-N-[(2-fluorophenyl)methyl]propanamide
CID 97275855
N-[(2-fluorophenyl)methyl]-3-[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]propanamide
CID 42566664
N-[(2-fluorophenyl)methyl]-3-[(3S)-1-(3-phenylprop-2-ynyl)piperidin-3-yl]propanamide
CID 42403686
1-[(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 42099274
3-[1-(2,3-dimethylquinoxaline-6-carbonyl)piperidin-3-yl]-N-[(2-fluorophenyl)methyl]propanamide
CID 45186260
(3R)-3-[3-(benzylamino)-3-oxopropyl]-N-phenylpiperidine-1-carboxamide
CID 95094068

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-3-[1-(4-phenylbutanoyl)piperidin-3-yl]propanamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-3-[1-(4-phenylbutanoyl)piperidin-3-yl]propanamide (CID 45228960) is N-[(2-fluorophenyl)methyl]-3-[1-(4-phenylbutanoyl)piperidin-3-yl]propanamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-3-[1-(4-phenylbutanoyl)piperidin-3-yl]propanamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-3-[1-(4-phenylbutanoyl)piperidin-3-yl]propanamide is O=C(CCC1CCCN(C(=O)CCCc2ccccc2)C1)NCc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-3-[1-(4-phenylbutanoyl)piperidin-3-yl]propanamide?
The InChIKey is QXWWGTNPJQZRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN2O2/c26-23-13-5-4-12-22(23)18-27-24(29)16-15-21-11-7-17-28(19-21)25(30)14-6-10-20-8-2-1-3-9-20/h1-5,8-9,12-13,21H,6-7,10-11,14-19H2,(H,27,29).
What are the key properties of N-[(2-fluorophenyl)methyl]-3-[1-(4-phenylbutanoyl)piperidin-3-yl]propanamide?
N-[(2-fluorophenyl)methyl]-3-[1-(4-phenylbutanoyl)piperidin-3-yl]propanamide has a molecular weight of 410.53 g/mol, XLogP of 4.48, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-3-[1-(4-phenylbutanoyl)piperidin-3-yl]propanamide is sourced from PubChem (CID 45228960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).