(2R)-2-(4-chlorophenyl)-3-(4-fluoropiperidin-1-yl)propanamide

C14H18ClFN2O — CID 67518927

IUPAC(2R)-2-(4-chlorophenyl)-3-(4-fluoropiperidin-1-yl)propanamide
SMILESNC(=O)[C@@H](CN1CCC(F)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C14H18ClFN2O/c15-11-3-1-10(2-4-11)13(14(17)19)9-18-7-5-12(16)6-8-18/h1-4,12-13H,5-9H2,(H2,17,19)/t13-/m0/s1
InChIKeyVHIDVIFCAHLBSR-ZDUSSCGKSA-N
MW284.76 g/mol
LogP2.34
Rot. Bonds4

About (2R)-2-(4-chlorophenyl)-3-(4-fluoropiperidin-1-yl)propanamide

(2R)-2-(4-chlorophenyl)-3-(4-fluoropiperidin-1-yl)propanamide (PubChem CID 67518927) has the molecular formula C14H18ClFN2O and a molecular weight of 284.76 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenyl)-3-(4-fluoropiperidin-1-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenyl)-3-(4-fluoropiperidin-1-yl)propanamide
PubChem CID67518927
Molecular FormulaC14H18ClFN2O
Molecular Weight284.76 g/mol
Exact Mass284.11
IUPAC Name(2R)-2-(4-chlorophenyl)-3-(4-fluoropiperidin-1-yl)propanamide
SMILESNC(=O)[C@@H](CN1CCC(F)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C14H18ClFN2O/c15-11-3-1-10(2-4-11)13(14(17)19)9-18-7-5-12(16)6-8-18/h1-4,12-13H,5-9H2,(H2,17,19)/t13-/m0/s1
InChIKeyVHIDVIFCAHLBSR-ZDUSSCGKSA-N
XLogP2.34
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.76
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-3-(4-fluoropiperidin-1-yl)propanoic acid
CID 70677822
(2R)-2-(4-chlorophenyl)-1-(4-fluoropiperidin-1-yl)-4-methylpentan-3-one
CID 59670872
(2R)-2-(4-chloro-3-fluorophenyl)-3-(4-hydroxypiperidin-1-yl)propanamide
CID 67518942
2-(4-chlorophenyl)-3-(4-hydroxypiperidin-1-yl)-N-methylidenepropanamide
CID 143607109
(2R)-2-(4-chlorophenyl)-3-(3-oxopiperazin-1-yl)propanamide
CID 67518815
1-[(2R)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]piperidin-4-ol
CID 58458342
1-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]piperidin-4-ol
CID 58458138
(2S)-2-(4-chloro-3-fluorophenyl)-3-(4-methylpiperazin-1-yl)propanamide
CID 67518904
(2S)-2-(4-chlorophenyl)butanamide
CID 174406593
(3S)-3-(4-chlorophenyl)-4-(4-ethylpiperazin-1-yl)butan-2-one
CID 71123868
2-(4-chlorophenyl)-4-methyl-1-pyrrolidin-1-ylpentan-3-one
CID 59670883
(2S)-2-(4-chlorophenyl)-3-(cyclopropylmethylamino)propanamide
CID 67518777

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenyl)-3-(4-fluoropiperidin-1-yl)propanamide?
The IUPAC name of (2R)-2-(4-chlorophenyl)-3-(4-fluoropiperidin-1-yl)propanamide (CID 67518927) is (2R)-2-(4-chlorophenyl)-3-(4-fluoropiperidin-1-yl)propanamide.
What is the SMILES notation for (2R)-2-(4-chlorophenyl)-3-(4-fluoropiperidin-1-yl)propanamide?
The canonical SMILES for (2R)-2-(4-chlorophenyl)-3-(4-fluoropiperidin-1-yl)propanamide is NC(=O)[C@@H](CN1CCC(F)CC1)c1ccc(Cl)cc1.
What is the InChIKey of (2R)-2-(4-chlorophenyl)-3-(4-fluoropiperidin-1-yl)propanamide?
The InChIKey is VHIDVIFCAHLBSR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H18ClFN2O/c15-11-3-1-10(2-4-11)13(14(17)19)9-18-7-5-12(16)6-8-18/h1-4,12-13H,5-9H2,(H2,17,19)/t13-/m0/s1.
What are the key properties of (2R)-2-(4-chlorophenyl)-3-(4-fluoropiperidin-1-yl)propanamide?
(2R)-2-(4-chlorophenyl)-3-(4-fluoropiperidin-1-yl)propanamide has a molecular weight of 284.76 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chlorophenyl)-3-(4-fluoropiperidin-1-yl)propanamide is sourced from PubChem (CID 67518927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).