N-(2-fluorophenyl)-N-[4-phenyl-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]propanamide

C25H29FN4O — CID 14348725

IUPACN-(2-fluorophenyl)-N-[4-phenyl-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]propanamide
SMILESCCC(=O)N(c1ccccc1F)C1(c2ccccc2)CCN(CCn2cccn2)CC1
InChIInChI=1S/C25H29FN4O/c1-2-24(31)30(23-12-7-6-11-22(23)26)25(21-9-4-3-5-10-21)13-17-28(18-14-25)19-20-29-16-8-15-27-29/h3-12,15-16H,2,13-14,17-20H2,1H3
InChIKeyIDZVQPKXBGZUSM-UHFFFAOYSA-N
MW420.53 g/mol
LogP4.46
Rot. Bonds7

About N-(2-fluorophenyl)-N-[4-phenyl-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]propanamide

N-(2-fluorophenyl)-N-[4-phenyl-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]propanamide (PubChem CID 14348725) has the molecular formula C25H29FN4O and a molecular weight of 420.53 g/mol. Its IUPAC name is N-(2-fluorophenyl)-N-[4-phenyl-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-N-[4-phenyl-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]propanamide
PubChem CID14348725
Molecular FormulaC25H29FN4O
Molecular Weight420.53 g/mol
Exact Mass420.23
IUPAC NameN-(2-fluorophenyl)-N-[4-phenyl-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]propanamide
SMILESCCC(=O)N(c1ccccc1F)C1(c2ccccc2)CCN(CCn2cccn2)CC1
InChIInChI=1S/C25H29FN4O/c1-2-24(31)30(23-12-7-6-11-22(23)26)25(21-9-4-3-5-10-21)13-17-28(18-14-25)19-20-29-16-8-15-27-29/h3-12,15-16H,2,13-14,17-20H2,1H3
InChIKeyIDZVQPKXBGZUSM-UHFFFAOYSA-N
XLogP4.46
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-N-[4-phenyl-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]propanamide?
The IUPAC name of N-(2-fluorophenyl)-N-[4-phenyl-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]propanamide (CID 14348725) is N-(2-fluorophenyl)-N-[4-phenyl-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-(2-fluorophenyl)-N-[4-phenyl-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]propanamide?
The canonical SMILES for N-(2-fluorophenyl)-N-[4-phenyl-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]propanamide is CCC(=O)N(c1ccccc1F)C1(c2ccccc2)CCN(CCn2cccn2)CC1.
What is the InChIKey of N-(2-fluorophenyl)-N-[4-phenyl-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]propanamide?
The InChIKey is IDZVQPKXBGZUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4O/c1-2-24(31)30(23-12-7-6-11-22(23)26)25(21-9-4-3-5-10-21)13-17-28(18-14-25)19-20-29-16-8-15-27-29/h3-12,15-16H,2,13-14,17-20H2,1H3.
What are the key properties of N-(2-fluorophenyl)-N-[4-phenyl-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]propanamide?
N-(2-fluorophenyl)-N-[4-phenyl-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]propanamide has a molecular weight of 420.53 g/mol, XLogP of 4.46, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-N-[4-phenyl-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 14348725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).