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

C21H29FN4O2 — CID 19772641

IUPACN-(2-fluorophenyl)-N-[4-(methoxymethyl)-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]propanamide
SMILESCCC(=O)N(c1ccccc1F)C1(COC)CCN(CCn2cccn2)CC1
InChIInChI=1S/C21H29FN4O2/c1-3-20(27)26(19-8-5-4-7-18(19)22)21(17-28-2)9-13-24(14-10-21)15-16-25-12-6-11-23-25/h4-8,11-12H,3,9-10,13-17H2,1-2H3
InChIKeyZTCOAQJNBXESRS-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.95
Rot. Bonds8

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

N-(2-fluorophenyl)-N-[4-(methoxymethyl)-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]propanamide (PubChem CID 19772641) has the molecular formula C21H29FN4O2 and a molecular weight of 388.49 g/mol. Its IUPAC name is N-(2-fluorophenyl)-N-[4-(methoxymethyl)-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-N-[4-(methoxymethyl)-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]propanamide
PubChem CID19772641
Molecular FormulaC21H29FN4O2
Molecular Weight388.49 g/mol
Exact Mass388.23
IUPAC NameN-(2-fluorophenyl)-N-[4-(methoxymethyl)-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]propanamide
SMILESCCC(=O)N(c1ccccc1F)C1(COC)CCN(CCn2cccn2)CC1
InChIInChI=1S/C21H29FN4O2/c1-3-20(27)26(19-8-5-4-7-18(19)22)21(17-28-2)9-13-24(14-10-21)15-16-25-12-6-11-23-25/h4-8,11-12H,3,9-10,13-17H2,1-2H3
InChIKeyZTCOAQJNBXESRS-UHFFFAOYSA-N
XLogP2.95
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.95
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-[4-(methoxymethyl)-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]propanamide?
The IUPAC name of N-(2-fluorophenyl)-N-[4-(methoxymethyl)-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]propanamide (CID 19772641) is N-(2-fluorophenyl)-N-[4-(methoxymethyl)-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-(2-fluorophenyl)-N-[4-(methoxymethyl)-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]propanamide?
The canonical SMILES for N-(2-fluorophenyl)-N-[4-(methoxymethyl)-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]propanamide is CCC(=O)N(c1ccccc1F)C1(COC)CCN(CCn2cccn2)CC1.
What is the InChIKey of N-(2-fluorophenyl)-N-[4-(methoxymethyl)-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]propanamide?
The InChIKey is ZTCOAQJNBXESRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29FN4O2/c1-3-20(27)26(19-8-5-4-7-18(19)22)21(17-28-2)9-13-24(14-10-21)15-16-25-12-6-11-23-25/h4-8,11-12H,3,9-10,13-17H2,1-2H3.
What are the key properties of N-(2-fluorophenyl)-N-[4-(methoxymethyl)-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]propanamide?
N-(2-fluorophenyl)-N-[4-(methoxymethyl)-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]propanamide has a molecular weight of 388.49 g/mol, XLogP of 2.95, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-N-[4-(methoxymethyl)-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 19772641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).