4-[[2-acetamido-3-(2-fluorophenyl)propanoyl]amino]-N-benzylpiperidine-1-carboxamide

C24H29FN4O3 — CID 6487337

IUPAC4-[[2-acetamido-3-(2-fluorophenyl)propanoyl]amino]-N-benzylpiperidine-1-carboxamide
SMILESCC(=O)NC(Cc1ccccc1F)C(=O)NC1CCN(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C24H29FN4O3/c1-17(30)27-22(15-19-9-5-6-10-21(19)25)23(31)28-20-11-13-29(14-12-20)24(32)26-16-18-7-3-2-4-8-18/h2-10,20,22H,11-16H2,1H3,(H,26,32)(H,27,30)(H,28,31)
InChIKeyXNHOXVQQJOXMSK-UHFFFAOYSA-N
MW440.52 g/mol
LogP2.36
Rot. Bonds7

About 4-[[2-acetamido-3-(2-fluorophenyl)propanoyl]amino]-N-benzylpiperidine-1-carboxamide

4-[[2-acetamido-3-(2-fluorophenyl)propanoyl]amino]-N-benzylpiperidine-1-carboxamide (PubChem CID 6487337) has the molecular formula C24H29FN4O3 and a molecular weight of 440.52 g/mol. Its IUPAC name is 4-[[2-acetamido-3-(2-fluorophenyl)propanoyl]amino]-N-benzylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[[2-acetamido-3-(2-fluorophenyl)propanoyl]amino]-N-benzylpiperidine-1-carboxamide
PubChem CID6487337
Molecular FormulaC24H29FN4O3
Molecular Weight440.52 g/mol
Exact Mass440.22
IUPAC Name4-[[2-acetamido-3-(2-fluorophenyl)propanoyl]amino]-N-benzylpiperidine-1-carboxamide
SMILESCC(=O)NC(Cc1ccccc1F)C(=O)NC1CCN(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C24H29FN4O3/c1-17(30)27-22(15-19-9-5-6-10-21(19)25)23(31)28-20-11-13-29(14-12-20)24(32)26-16-18-7-3-2-4-8-18/h2-10,20,22H,11-16H2,1H3,(H,26,32)(H,27,30)(H,28,31)
InChIKeyXNHOXVQQJOXMSK-UHFFFAOYSA-N
XLogP2.36
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-acetamido-3-(2-fluorophenyl)propanoyl]amino]-N-benzylpiperidine-1-carboxamide?
The IUPAC name of 4-[[2-acetamido-3-(2-fluorophenyl)propanoyl]amino]-N-benzylpiperidine-1-carboxamide (CID 6487337) is 4-[[2-acetamido-3-(2-fluorophenyl)propanoyl]amino]-N-benzylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[[2-acetamido-3-(2-fluorophenyl)propanoyl]amino]-N-benzylpiperidine-1-carboxamide?
The canonical SMILES for 4-[[2-acetamido-3-(2-fluorophenyl)propanoyl]amino]-N-benzylpiperidine-1-carboxamide is CC(=O)NC(Cc1ccccc1F)C(=O)NC1CCN(C(=O)NCc2ccccc2)CC1.
What is the InChIKey of 4-[[2-acetamido-3-(2-fluorophenyl)propanoyl]amino]-N-benzylpiperidine-1-carboxamide?
The InChIKey is XNHOXVQQJOXMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O3/c1-17(30)27-22(15-19-9-5-6-10-21(19)25)23(31)28-20-11-13-29(14-12-20)24(32)26-16-18-7-3-2-4-8-18/h2-10,20,22H,11-16H2,1H3,(H,26,32)(H,27,30)(H,28,31).
What are the key properties of 4-[[2-acetamido-3-(2-fluorophenyl)propanoyl]amino]-N-benzylpiperidine-1-carboxamide?
4-[[2-acetamido-3-(2-fluorophenyl)propanoyl]amino]-N-benzylpiperidine-1-carboxamide has a molecular weight of 440.52 g/mol, XLogP of 2.36, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-acetamido-3-(2-fluorophenyl)propanoyl]amino]-N-benzylpiperidine-1-carboxamide is sourced from PubChem (CID 6487337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).