N-(2-fluorophenyl)-N-[1-(2-pyrazol-1-ylethyl)-4-pyridin-2-ylpiperidin-4-yl]propanamide

C24H28FN5O — CID 14330517

IUPACN-(2-fluorophenyl)-N-[1-(2-pyrazol-1-ylethyl)-4-pyridin-2-ylpiperidin-4-yl]propanamide
SMILESCCC(=O)N(c1ccccc1F)C1(c2ccccn2)CCN(CCn2cccn2)CC1
InChIInChI=1S/C24H28FN5O/c1-2-23(31)30(21-9-4-3-8-20(21)25)24(22-10-5-6-13-26-22)11-16-28(17-12-24)18-19-29-15-7-14-27-29/h3-10,13-15H,2,11-12,16-19H2,1H3
InChIKeyHTAVGYGJASJKIW-UHFFFAOYSA-N
MW421.52 g/mol
LogP3.85
Rot. Bonds7

About N-(2-fluorophenyl)-N-[1-(2-pyrazol-1-ylethyl)-4-pyridin-2-ylpiperidin-4-yl]propanamide

N-(2-fluorophenyl)-N-[1-(2-pyrazol-1-ylethyl)-4-pyridin-2-ylpiperidin-4-yl]propanamide (PubChem CID 14330517) has the molecular formula C24H28FN5O and a molecular weight of 421.52 g/mol. Its IUPAC name is N-(2-fluorophenyl)-N-[1-(2-pyrazol-1-ylethyl)-4-pyridin-2-ylpiperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-N-[1-(2-pyrazol-1-ylethyl)-4-pyridin-2-ylpiperidin-4-yl]propanamide
PubChem CID14330517
Molecular FormulaC24H28FN5O
Molecular Weight421.52 g/mol
Exact Mass421.23
IUPAC NameN-(2-fluorophenyl)-N-[1-(2-pyrazol-1-ylethyl)-4-pyridin-2-ylpiperidin-4-yl]propanamide
SMILESCCC(=O)N(c1ccccc1F)C1(c2ccccn2)CCN(CCn2cccn2)CC1
InChIInChI=1S/C24H28FN5O/c1-2-23(31)30(21-9-4-3-8-20(21)25)24(22-10-5-6-13-26-22)11-16-28(17-12-24)18-19-29-15-7-14-27-29/h3-10,13-15H,2,11-12,16-19H2,1H3
InChIKeyHTAVGYGJASJKIW-UHFFFAOYSA-N
XLogP3.85
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-N-[1-(2-pyrazol-1-ylethyl)-4-pyridin-2-ylpiperidin-4-yl]propanamide?
The IUPAC name of N-(2-fluorophenyl)-N-[1-(2-pyrazol-1-ylethyl)-4-pyridin-2-ylpiperidin-4-yl]propanamide (CID 14330517) is N-(2-fluorophenyl)-N-[1-(2-pyrazol-1-ylethyl)-4-pyridin-2-ylpiperidin-4-yl]propanamide.
What is the SMILES notation for N-(2-fluorophenyl)-N-[1-(2-pyrazol-1-ylethyl)-4-pyridin-2-ylpiperidin-4-yl]propanamide?
The canonical SMILES for N-(2-fluorophenyl)-N-[1-(2-pyrazol-1-ylethyl)-4-pyridin-2-ylpiperidin-4-yl]propanamide is CCC(=O)N(c1ccccc1F)C1(c2ccccn2)CCN(CCn2cccn2)CC1.
What is the InChIKey of N-(2-fluorophenyl)-N-[1-(2-pyrazol-1-ylethyl)-4-pyridin-2-ylpiperidin-4-yl]propanamide?
The InChIKey is HTAVGYGJASJKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN5O/c1-2-23(31)30(21-9-4-3-8-20(21)25)24(22-10-5-6-13-26-22)11-16-28(17-12-24)18-19-29-15-7-14-27-29/h3-10,13-15H,2,11-12,16-19H2,1H3.
What are the key properties of N-(2-fluorophenyl)-N-[1-(2-pyrazol-1-ylethyl)-4-pyridin-2-ylpiperidin-4-yl]propanamide?
N-(2-fluorophenyl)-N-[1-(2-pyrazol-1-ylethyl)-4-pyridin-2-ylpiperidin-4-yl]propanamide has a molecular weight of 421.52 g/mol, XLogP of 3.85, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-N-[1-(2-pyrazol-1-ylethyl)-4-pyridin-2-ylpiperidin-4-yl]propanamide is sourced from PubChem (CID 14330517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).