N-[4-(3-fluorophenyl)piperidin-3-yl]-2-methylprop-2-enamide

C15H19FN2O — CID 165440649

IUPACN-[4-(3-fluorophenyl)piperidin-3-yl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC1CNCCC1c1cccc(F)c1
InChIInChI=1S/C15H19FN2O/c1-10(2)15(19)18-14-9-17-7-6-13(14)11-4-3-5-12(16)8-11/h3-5,8,13-14,17H,1,6-7,9H2,2H3,(H,18,19)
InChIKeyPETMLWBTRIPFEH-UHFFFAOYSA-N
MW262.33 g/mol
LogP1.96
Rot. Bonds3

About N-[4-(3-fluorophenyl)piperidin-3-yl]-2-methylprop-2-enamide

N-[4-(3-fluorophenyl)piperidin-3-yl]-2-methylprop-2-enamide (PubChem CID 165440649) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is N-[4-(3-fluorophenyl)piperidin-3-yl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[4-(3-fluorophenyl)piperidin-3-yl]-2-methylprop-2-enamide
PubChem CID165440649
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC NameN-[4-(3-fluorophenyl)piperidin-3-yl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC1CNCCC1c1cccc(F)c1
InChIInChI=1S/C15H19FN2O/c1-10(2)15(19)18-14-9-17-7-6-13(14)11-4-3-5-12(16)8-11/h3-5,8,13-14,17H,1,6-7,9H2,2H3,(H,18,19)
InChIKeyPETMLWBTRIPFEH-UHFFFAOYSA-N
XLogP1.96
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[(3R,4S)-4-(3-fluorophenyl)pyrrolidin-3-yl]carbamic acid
CID 71014411
2-fluoro-N-[(3S,4S)-4-(3-fluorophenyl)piperidin-3-yl]-4-(2-methylpyrazol-3-yl)benzamide
CID 155555262
5-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(3-fluorophenyl)piperidin-3-yl]pyridine-2-carboxamide
CID 155534728
4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(3-fluorophenyl)piperidin-3-yl]benzamide;hydrochloride
CID 155548161
3-fluoro-4-(3-fluorophenyl)piperidine
CID 83855496
4-chloro-5-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(3-fluorophenyl)piperidin-3-yl]pyridine-2-carboxamide
CID 118408901
2,2,2-trifluoro-N-[(3R,4S)-4-(4-fluorophenyl)piperidin-3-yl]acetamide
CID 97184037
5-(4-ethenyl-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(3-fluorophenyl)piperidin-3-yl]thiophene-2-carboxamide
CID 118408875
4-(4-bromo-1-methylpyrazol-5-yl)-3-chloro-N-[(3S,4S)-4-(3-fluorophenyl)piperidin-3-yl]benzamide
CID 155567065
4-(3-fluorophenyl)-3-(2-methylpropyl)piperidine
CID 79321584
propyl N-[4-(3-fluorophenyl)pyrrolidin-3-yl]carbamate
CID 66715102
3-(3-fluorophenyl)pyrrolidine;oxalic acid
CID 91623790

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-fluorophenyl)piperidin-3-yl]-2-methylprop-2-enamide?
The IUPAC name of N-[4-(3-fluorophenyl)piperidin-3-yl]-2-methylprop-2-enamide (CID 165440649) is N-[4-(3-fluorophenyl)piperidin-3-yl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[4-(3-fluorophenyl)piperidin-3-yl]-2-methylprop-2-enamide?
The canonical SMILES for N-[4-(3-fluorophenyl)piperidin-3-yl]-2-methylprop-2-enamide is C=C(C)C(=O)NC1CNCCC1c1cccc(F)c1.
What is the InChIKey of N-[4-(3-fluorophenyl)piperidin-3-yl]-2-methylprop-2-enamide?
The InChIKey is PETMLWBTRIPFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c1-10(2)15(19)18-14-9-17-7-6-13(14)11-4-3-5-12(16)8-11/h3-5,8,13-14,17H,1,6-7,9H2,2H3,(H,18,19).
What are the key properties of N-[4-(3-fluorophenyl)piperidin-3-yl]-2-methylprop-2-enamide?
N-[4-(3-fluorophenyl)piperidin-3-yl]-2-methylprop-2-enamide has a molecular weight of 262.33 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-fluorophenyl)piperidin-3-yl]-2-methylprop-2-enamide is sourced from PubChem (CID 165440649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).