1-(3-fluorobenzoyl)-N-(2,4,4-trimethylpentan-2-yl)piperidine-4-carboxamide

C21H31FN2O2 — CID 17223785

IUPAC1-(3-fluorobenzoyl)-N-(2,4,4-trimethylpentan-2-yl)piperidine-4-carboxamide
SMILESCC(C)(C)CC(C)(C)NC(=O)C1CCN(C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C21H31FN2O2/c1-20(2,3)14-21(4,5)23-18(25)15-9-11-24(12-10-15)19(26)16-7-6-8-17(22)13-16/h6-8,13,15H,9-12,14H2,1-5H3,(H,23,25)
InChIKeyRBIAEANRWIDKFM-UHFFFAOYSA-N
MW362.49 g/mol
LogP4.01
Rot. Bonds4

About 1-(3-fluorobenzoyl)-N-(2,4,4-trimethylpentan-2-yl)piperidine-4-carboxamide

1-(3-fluorobenzoyl)-N-(2,4,4-trimethylpentan-2-yl)piperidine-4-carboxamide (PubChem CID 17223785) has the molecular formula C21H31FN2O2 and a molecular weight of 362.49 g/mol. Its IUPAC name is 1-(3-fluorobenzoyl)-N-(2,4,4-trimethylpentan-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-fluorobenzoyl)-N-(2,4,4-trimethylpentan-2-yl)piperidine-4-carboxamide
PubChem CID17223785
Molecular FormulaC21H31FN2O2
Molecular Weight362.49 g/mol
Exact Mass362.24
IUPAC Name1-(3-fluorobenzoyl)-N-(2,4,4-trimethylpentan-2-yl)piperidine-4-carboxamide
SMILESCC(C)(C)CC(C)(C)NC(=O)C1CCN(C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C21H31FN2O2/c1-20(2,3)14-21(4,5)23-18(25)15-9-11-24(12-10-15)19(26)16-7-6-8-17(22)13-16/h6-8,13,15H,9-12,14H2,1-5H3,(H,23,25)
InChIKeyRBIAEANRWIDKFM-UHFFFAOYSA-N
XLogP4.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.49
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluorobenzoyl)-N-pentan-3-ylpiperidine-4-carboxamide
CID 17223719
1-(3-fluorobenzoyl)-N-phenylpiperidine-4-carboxamide
CID 17223576
N-[1-(3-fluorobenzoyl)piperidin-4-yl]acetamide
CID 49348900
N-[4-(diethylamino)phenyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide
CID 113008104
N-[1-(3-fluorobenzoyl)piperidin-4-yl]propanamide
CID 110820378
[1-(3-fluorobenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone
CID 1438163
N-(3-fluorophenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113008221
1-(3-fluorobenzoyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide
CID 17223612
N-(3-chloro-4-methylphenyl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide
CID 17223687
2,2,2-trifluoro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]acetamide
CID 108548760
N-(4-chloro-2-methylphenyl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide
CID 113007278
1-benzoyl-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 110298375

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorobenzoyl)-N-(2,4,4-trimethylpentan-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(3-fluorobenzoyl)-N-(2,4,4-trimethylpentan-2-yl)piperidine-4-carboxamide (CID 17223785) is 1-(3-fluorobenzoyl)-N-(2,4,4-trimethylpentan-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-fluorobenzoyl)-N-(2,4,4-trimethylpentan-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3-fluorobenzoyl)-N-(2,4,4-trimethylpentan-2-yl)piperidine-4-carboxamide is CC(C)(C)CC(C)(C)NC(=O)C1CCN(C(=O)c2cccc(F)c2)CC1.
What is the InChIKey of 1-(3-fluorobenzoyl)-N-(2,4,4-trimethylpentan-2-yl)piperidine-4-carboxamide?
The InChIKey is RBIAEANRWIDKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31FN2O2/c1-20(2,3)14-21(4,5)23-18(25)15-9-11-24(12-10-15)19(26)16-7-6-8-17(22)13-16/h6-8,13,15H,9-12,14H2,1-5H3,(H,23,25).
What are the key properties of 1-(3-fluorobenzoyl)-N-(2,4,4-trimethylpentan-2-yl)piperidine-4-carboxamide?
1-(3-fluorobenzoyl)-N-(2,4,4-trimethylpentan-2-yl)piperidine-4-carboxamide has a molecular weight of 362.49 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorobenzoyl)-N-(2,4,4-trimethylpentan-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 17223785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).