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

C20H27FN4O — CID 25451605

IUPACN-[(4-fluorophenyl)methyl]-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]propanamide
SMILESCn1cc(CN2CCC(CCC(=O)NCc3ccc(F)cc3)CC2)cn1
InChIInChI=1S/C20H27FN4O/c1-24-14-18(13-23-24)15-25-10-8-16(9-11-25)4-7-20(26)22-12-17-2-5-19(21)6-3-17/h2-3,5-6,13-14,16H,4,7-12,15H2,1H3,(H,22,26)
InChIKeyHUIGJTSFDVHXNO-UHFFFAOYSA-N
MW358.46 g/mol
LogP2.87
Rot. Bonds7

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

N-[(4-fluorophenyl)methyl]-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]propanamide (PubChem CID 25451605) has the molecular formula C20H27FN4O and a molecular weight of 358.46 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]propanamide
PubChem CID25451605
Molecular FormulaC20H27FN4O
Molecular Weight358.46 g/mol
Exact Mass358.22
IUPAC NameN-[(4-fluorophenyl)methyl]-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]propanamide
SMILESCn1cc(CN2CCC(CCC(=O)NCc3ccc(F)cc3)CC2)cn1
InChIInChI=1S/C20H27FN4O/c1-24-14-18(13-23-24)15-25-10-8-16(9-11-25)4-7-20(26)22-12-17-2-5-19(21)6-3-17/h2-3,5-6,13-14,16H,4,7-12,15H2,1H3,(H,22,26)
InChIKeyHUIGJTSFDVHXNO-UHFFFAOYSA-N
XLogP2.87
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]propanamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]propanamide (CID 25451605) is N-[(4-fluorophenyl)methyl]-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]propanamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]propanamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]propanamide is Cn1cc(CN2CCC(CCC(=O)NCc3ccc(F)cc3)CC2)cn1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]propanamide?
The InChIKey is HUIGJTSFDVHXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN4O/c1-24-14-18(13-23-24)15-25-10-8-16(9-11-25)4-7-20(26)22-12-17-2-5-19(21)6-3-17/h2-3,5-6,13-14,16H,4,7-12,15H2,1H3,(H,22,26).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]propanamide?
N-[(4-fluorophenyl)methyl]-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]propanamide has a molecular weight of 358.46 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 25451605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).