N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-(phenylcarbamoylamino)propanamide

C22H25FN4O3 — CID 55710997

IUPACN-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-(phenylcarbamoylamino)propanamide
SMILESCC(NC(=O)Nc1ccccc1)C(=O)NC1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C22H25FN4O3/c1-15(24-22(30)26-16-7-3-2-4-8-16)20(28)25-17-11-13-27(14-12-17)21(29)18-9-5-6-10-19(18)23/h2-10,15,17H,11-14H2,1H3,(H,25,28)(H2,24,26,30)
InChIKeyQOXHVKFFAZNYBC-UHFFFAOYSA-N
MW412.47 g/mol
LogP2.76
Rot. Bonds5

About N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-(phenylcarbamoylamino)propanamide

N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-(phenylcarbamoylamino)propanamide (PubChem CID 55710997) has the molecular formula C22H25FN4O3 and a molecular weight of 412.47 g/mol. Its IUPAC name is N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-(phenylcarbamoylamino)propanamide.

Molecular Properties

Compound NameN-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-(phenylcarbamoylamino)propanamide
PubChem CID55710997
Molecular FormulaC22H25FN4O3
Molecular Weight412.47 g/mol
Exact Mass412.19
IUPAC NameN-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-(phenylcarbamoylamino)propanamide
SMILESCC(NC(=O)Nc1ccccc1)C(=O)NC1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C22H25FN4O3/c1-15(24-22(30)26-16-7-3-2-4-8-16)20(28)25-17-11-13-27(14-12-17)21(29)18-9-5-6-10-19(18)23/h2-10,15,17H,11-14H2,1H3,(H,25,28)(H2,24,26,30)
InChIKeyQOXHVKFFAZNYBC-UHFFFAOYSA-N
XLogP2.76
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(phenylcarbamoylamino)piperidine-1-carbonyl]benzoic acid
CID 113083323
(2S)-2-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-methylpentanamide;hydrochloride
CID 119710991
N-cyclopropyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]propanamide
CID 51329108
4-fluoro-N-[1-[[1-(2-fluorobenzoyl)piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55702964
2-(4-chlorophenoxy)-N-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide
CID 55703255
2-[4-[(2-fluorobenzoyl)amino]piperidine-1-carbonyl]benzoic acid
CID 113083297
2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-phenylacetamide
CID 46027426
N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-propan-2-ylpyrrolidine-1-carboxamide
CID 48509510
4-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzamide;hydrochloride
CID 119710955
N-[1-(2-fluorobenzoyl)piperidin-4-yl]cyclohexanecarboxamide
CID 110820345
2-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzamide
CID 119944331
2-fluoro-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]benzamide
CID 108549339

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-(phenylcarbamoylamino)propanamide?
The IUPAC name of N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-(phenylcarbamoylamino)propanamide (CID 55710997) is N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-(phenylcarbamoylamino)propanamide.
What is the SMILES notation for N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-(phenylcarbamoylamino)propanamide?
The canonical SMILES for N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-(phenylcarbamoylamino)propanamide is CC(NC(=O)Nc1ccccc1)C(=O)NC1CCN(C(=O)c2ccccc2F)CC1.
What is the InChIKey of N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-(phenylcarbamoylamino)propanamide?
The InChIKey is QOXHVKFFAZNYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O3/c1-15(24-22(30)26-16-7-3-2-4-8-16)20(28)25-17-11-13-27(14-12-17)21(29)18-9-5-6-10-19(18)23/h2-10,15,17H,11-14H2,1H3,(H,25,28)(H2,24,26,30).
What are the key properties of N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-(phenylcarbamoylamino)propanamide?
N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-(phenylcarbamoylamino)propanamide has a molecular weight of 412.47 g/mol, XLogP of 2.76, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-(phenylcarbamoylamino)propanamide is sourced from PubChem (CID 55710997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).