N-(2-fluorophenyl)-N-[2-(2-phenylethyl)-4-pyridin-2-ylpiperidin-4-yl]propanamide

C27H30FN3O — CID 23057366

IUPACN-(2-fluorophenyl)-N-[2-(2-phenylethyl)-4-pyridin-2-ylpiperidin-4-yl]propanamide
SMILESCCC(=O)N(c1ccccc1F)C1(c2ccccn2)CCNC(CCc2ccccc2)C1
InChIInChI=1S/C27H30FN3O/c1-2-26(32)31(24-13-7-6-12-23(24)28)27(25-14-8-9-18-30-25)17-19-29-22(20-27)16-15-21-10-4-3-5-11-21/h3-14,18,22,29H,2,15-17,19-20H2,1H3
InChIKeyXVWUKVJABXXIOI-UHFFFAOYSA-N
MW431.56 g/mol
LogP5.24
Rot. Bonds7

About N-(2-fluorophenyl)-N-[2-(2-phenylethyl)-4-pyridin-2-ylpiperidin-4-yl]propanamide

N-(2-fluorophenyl)-N-[2-(2-phenylethyl)-4-pyridin-2-ylpiperidin-4-yl]propanamide (PubChem CID 23057366) has the molecular formula C27H30FN3O and a molecular weight of 431.56 g/mol. Its IUPAC name is N-(2-fluorophenyl)-N-[2-(2-phenylethyl)-4-pyridin-2-ylpiperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-N-[2-(2-phenylethyl)-4-pyridin-2-ylpiperidin-4-yl]propanamide
PubChem CID23057366
Molecular FormulaC27H30FN3O
Molecular Weight431.56 g/mol
Exact Mass431.24
IUPAC NameN-(2-fluorophenyl)-N-[2-(2-phenylethyl)-4-pyridin-2-ylpiperidin-4-yl]propanamide
SMILESCCC(=O)N(c1ccccc1F)C1(c2ccccn2)CCNC(CCc2ccccc2)C1
InChIInChI=1S/C27H30FN3O/c1-2-26(32)31(24-13-7-6-12-23(24)28)27(25-14-8-9-18-30-25)17-19-29-22(20-27)16-15-21-10-4-3-5-11-21/h3-14,18,22,29H,2,15-17,19-20H2,1H3
InChIKeyXVWUKVJABXXIOI-UHFFFAOYSA-N
XLogP5.24
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.56
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-N-[2-(2-phenylethyl)-4-pyridin-2-ylpiperidin-4-yl]propanamide?
The IUPAC name of N-(2-fluorophenyl)-N-[2-(2-phenylethyl)-4-pyridin-2-ylpiperidin-4-yl]propanamide (CID 23057366) is N-(2-fluorophenyl)-N-[2-(2-phenylethyl)-4-pyridin-2-ylpiperidin-4-yl]propanamide.
What is the SMILES notation for N-(2-fluorophenyl)-N-[2-(2-phenylethyl)-4-pyridin-2-ylpiperidin-4-yl]propanamide?
The canonical SMILES for N-(2-fluorophenyl)-N-[2-(2-phenylethyl)-4-pyridin-2-ylpiperidin-4-yl]propanamide is CCC(=O)N(c1ccccc1F)C1(c2ccccn2)CCNC(CCc2ccccc2)C1.
What is the InChIKey of N-(2-fluorophenyl)-N-[2-(2-phenylethyl)-4-pyridin-2-ylpiperidin-4-yl]propanamide?
The InChIKey is XVWUKVJABXXIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN3O/c1-2-26(32)31(24-13-7-6-12-23(24)28)27(25-14-8-9-18-30-25)17-19-29-22(20-27)16-15-21-10-4-3-5-11-21/h3-14,18,22,29H,2,15-17,19-20H2,1H3.
What are the key properties of N-(2-fluorophenyl)-N-[2-(2-phenylethyl)-4-pyridin-2-ylpiperidin-4-yl]propanamide?
N-(2-fluorophenyl)-N-[2-(2-phenylethyl)-4-pyridin-2-ylpiperidin-4-yl]propanamide has a molecular weight of 431.56 g/mol, XLogP of 5.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-N-[2-(2-phenylethyl)-4-pyridin-2-ylpiperidin-4-yl]propanamide is sourced from PubChem (CID 23057366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).