2-[4-acetamido-4-(4-fluorophenyl)piperidin-1-yl]-N-(cyclopropylmethyl)acetamide

C19H26FN3O2 — CID 16668129

IUPAC2-[4-acetamido-4-(4-fluorophenyl)piperidin-1-yl]-N-(cyclopropylmethyl)acetamide
SMILESCC(=O)NC1(c2ccc(F)cc2)CCN(CC(=O)NCC2CC2)CC1
InChIInChI=1S/C19H26FN3O2/c1-14(24)22-19(16-4-6-17(20)7-5-16)8-10-23(11-9-19)13-18(25)21-12-15-2-3-15/h4-7,15H,2-3,8-13H2,1H3,(H,21,25)(H,22,24)
InChIKeyQULNMMNWJIQYIE-UHFFFAOYSA-N
MW347.43 g/mol
LogP1.78
Rot. Bonds6

About 2-[4-acetamido-4-(4-fluorophenyl)piperidin-1-yl]-N-(cyclopropylmethyl)acetamide

2-[4-acetamido-4-(4-fluorophenyl)piperidin-1-yl]-N-(cyclopropylmethyl)acetamide (PubChem CID 16668129) has the molecular formula C19H26FN3O2 and a molecular weight of 347.43 g/mol. Its IUPAC name is 2-[4-acetamido-4-(4-fluorophenyl)piperidin-1-yl]-N-(cyclopropylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-acetamido-4-(4-fluorophenyl)piperidin-1-yl]-N-(cyclopropylmethyl)acetamide
PubChem CID16668129
Molecular FormulaC19H26FN3O2
Molecular Weight347.43 g/mol
Exact Mass347.20
IUPAC Name2-[4-acetamido-4-(4-fluorophenyl)piperidin-1-yl]-N-(cyclopropylmethyl)acetamide
SMILESCC(=O)NC1(c2ccc(F)cc2)CCN(CC(=O)NCC2CC2)CC1
InChIInChI=1S/C19H26FN3O2/c1-14(24)22-19(16-4-6-17(20)7-5-16)8-10-23(11-9-19)13-18(25)21-12-15-2-3-15/h4-7,15H,2-3,8-13H2,1H3,(H,21,25)(H,22,24)
InChIKeyQULNMMNWJIQYIE-UHFFFAOYSA-N
XLogP1.78
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-acetamido-4-(4-fluorophenyl)piperidin-1-yl]-N-(cyclopropylmethyl)acetamide?
The IUPAC name of 2-[4-acetamido-4-(4-fluorophenyl)piperidin-1-yl]-N-(cyclopropylmethyl)acetamide (CID 16668129) is 2-[4-acetamido-4-(4-fluorophenyl)piperidin-1-yl]-N-(cyclopropylmethyl)acetamide.
What is the SMILES notation for 2-[4-acetamido-4-(4-fluorophenyl)piperidin-1-yl]-N-(cyclopropylmethyl)acetamide?
The canonical SMILES for 2-[4-acetamido-4-(4-fluorophenyl)piperidin-1-yl]-N-(cyclopropylmethyl)acetamide is CC(=O)NC1(c2ccc(F)cc2)CCN(CC(=O)NCC2CC2)CC1.
What is the InChIKey of 2-[4-acetamido-4-(4-fluorophenyl)piperidin-1-yl]-N-(cyclopropylmethyl)acetamide?
The InChIKey is QULNMMNWJIQYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O2/c1-14(24)22-19(16-4-6-17(20)7-5-16)8-10-23(11-9-19)13-18(25)21-12-15-2-3-15/h4-7,15H,2-3,8-13H2,1H3,(H,21,25)(H,22,24).
What are the key properties of 2-[4-acetamido-4-(4-fluorophenyl)piperidin-1-yl]-N-(cyclopropylmethyl)acetamide?
2-[4-acetamido-4-(4-fluorophenyl)piperidin-1-yl]-N-(cyclopropylmethyl)acetamide has a molecular weight of 347.43 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-acetamido-4-(4-fluorophenyl)piperidin-1-yl]-N-(cyclopropylmethyl)acetamide is sourced from PubChem (CID 16668129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).