1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-3-carboxamide

C23H32FN3O2 — CID 45177328

IUPAC1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-3-carboxamide
SMILESCc1ccc(CNC(=O)C2CCCN(C3CCN(C(=O)C4CC4)CC3)C2)cc1F
InChIInChI=1S/C23H32FN3O2/c1-16-4-5-17(13-21(16)24)14-25-22(28)19-3-2-10-27(15-19)20-8-11-26(12-9-20)23(29)18-6-7-18/h4-5,13,18-20H,2-3,6-12,14-15H2,1H3,(H,25,28)
InChIKeyZACOAIAFBLVTGF-UHFFFAOYSA-N
MW401.53 g/mol
LogP2.86
Rot. Bonds5

About 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-3-carboxamide

1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 45177328) has the molecular formula C23H32FN3O2 and a molecular weight of 401.53 g/mol. Its IUPAC name is 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-3-carboxamide
PubChem CID45177328
Molecular FormulaC23H32FN3O2
Molecular Weight401.53 g/mol
Exact Mass401.25
IUPAC Name1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-3-carboxamide
SMILESCc1ccc(CNC(=O)C2CCCN(C3CCN(C(=O)C4CC4)CC3)C2)cc1F
InChIInChI=1S/C23H32FN3O2/c1-16-4-5-17(13-21(16)24)14-25-22(28)19-3-2-10-27(15-19)20-8-11-26(12-9-20)23(29)18-6-7-18/h4-5,13,18-20H,2-3,6-12,14-15H2,1H3,(H,25,28)
InChIKeyZACOAIAFBLVTGF-UHFFFAOYSA-N
XLogP2.86
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-3-carboxamide (CID 45177328) is 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-3-carboxamide is Cc1ccc(CNC(=O)C2CCCN(C3CCN(C(=O)C4CC4)CC3)C2)cc1F.
What is the InChIKey of 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is ZACOAIAFBLVTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32FN3O2/c1-16-4-5-17(13-21(16)24)14-25-22(28)19-3-2-10-27(15-19)20-8-11-26(12-9-20)23(29)18-6-7-18/h4-5,13,18-20H,2-3,6-12,14-15H2,1H3,(H,25,28).
What are the key properties of 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-3-carboxamide?
1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 401.53 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 45177328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).