2-[[(1-butylpiperidin-2-yl)methylcarbamoylamino]methyl]-3-(4-fluorophenyl)propanamide

C21H33FN4O2 — CID 86904772

IUPAC2-[[(1-butylpiperidin-2-yl)methylcarbamoylamino]methyl]-3-(4-fluorophenyl)propanamide
SMILESCCCCN1CCCCC1CNC(=O)NCC(Cc1ccc(F)cc1)C(N)=O
InChIInChI=1S/C21H33FN4O2/c1-2-3-11-26-12-5-4-6-19(26)15-25-21(28)24-14-17(20(23)27)13-16-7-9-18(22)10-8-16/h7-10,17,19H,2-6,11-15H2,1H3,(H2,23,27)(H2,24,25,28)
InChIKeyZSFDKAMKDAQOLY-UHFFFAOYSA-N
MW392.52 g/mol
LogP2.42
Rot. Bonds10

About 2-[[(1-butylpiperidin-2-yl)methylcarbamoylamino]methyl]-3-(4-fluorophenyl)propanamide

2-[[(1-butylpiperidin-2-yl)methylcarbamoylamino]methyl]-3-(4-fluorophenyl)propanamide (PubChem CID 86904772) has the molecular formula C21H33FN4O2 and a molecular weight of 392.52 g/mol. Its IUPAC name is 2-[[(1-butylpiperidin-2-yl)methylcarbamoylamino]methyl]-3-(4-fluorophenyl)propanamide.

Molecular Properties

Compound Name2-[[(1-butylpiperidin-2-yl)methylcarbamoylamino]methyl]-3-(4-fluorophenyl)propanamide
PubChem CID86904772
Molecular FormulaC21H33FN4O2
Molecular Weight392.52 g/mol
Exact Mass392.26
IUPAC Name2-[[(1-butylpiperidin-2-yl)methylcarbamoylamino]methyl]-3-(4-fluorophenyl)propanamide
SMILESCCCCN1CCCCC1CNC(=O)NCC(Cc1ccc(F)cc1)C(N)=O
InChIInChI=1S/C21H33FN4O2/c1-2-3-11-26-12-5-4-6-19(26)15-25-21(28)24-14-17(20(23)27)13-16-7-9-18(22)10-8-16/h7-10,17,19H,2-6,11-15H2,1H3,(H2,23,27)(H2,24,25,28)
InChIKeyZSFDKAMKDAQOLY-UHFFFAOYSA-N
XLogP2.42
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.52
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[(1-butylpiperidin-2-yl)methylcarbamoylamino]methyl]-3-(4-fluorophenyl)propanamide?
The IUPAC name of 2-[[(1-butylpiperidin-2-yl)methylcarbamoylamino]methyl]-3-(4-fluorophenyl)propanamide (CID 86904772) is 2-[[(1-butylpiperidin-2-yl)methylcarbamoylamino]methyl]-3-(4-fluorophenyl)propanamide.
What is the SMILES notation for 2-[[(1-butylpiperidin-2-yl)methylcarbamoylamino]methyl]-3-(4-fluorophenyl)propanamide?
The canonical SMILES for 2-[[(1-butylpiperidin-2-yl)methylcarbamoylamino]methyl]-3-(4-fluorophenyl)propanamide is CCCCN1CCCCC1CNC(=O)NCC(Cc1ccc(F)cc1)C(N)=O.
What is the InChIKey of 2-[[(1-butylpiperidin-2-yl)methylcarbamoylamino]methyl]-3-(4-fluorophenyl)propanamide?
The InChIKey is ZSFDKAMKDAQOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33FN4O2/c1-2-3-11-26-12-5-4-6-19(26)15-25-21(28)24-14-17(20(23)27)13-16-7-9-18(22)10-8-16/h7-10,17,19H,2-6,11-15H2,1H3,(H2,23,27)(H2,24,25,28).
What are the key properties of 2-[[(1-butylpiperidin-2-yl)methylcarbamoylamino]methyl]-3-(4-fluorophenyl)propanamide?
2-[[(1-butylpiperidin-2-yl)methylcarbamoylamino]methyl]-3-(4-fluorophenyl)propanamide has a molecular weight of 392.52 g/mol, XLogP of 2.42, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1-butylpiperidin-2-yl)methylcarbamoylamino]methyl]-3-(4-fluorophenyl)propanamide is sourced from PubChem (CID 86904772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).