N-[4,4-difluoro-1-(5-propan-2-yloxypyridine-3-carbonyl)piperidin-3-yl]prop-2-enamide

C17H21F2N3O3 — CID 172887608

IUPACN-[4,4-difluoro-1-(5-propan-2-yloxypyridine-3-carbonyl)piperidin-3-yl]prop-2-enamide
SMILESC=CC(=O)NC1CN(C(=O)c2cncc(OC(C)C)c2)CCC1(F)F
InChIInChI=1S/C17H21F2N3O3/c1-4-15(23)21-14-10-22(6-5-17(14,18)19)16(24)12-7-13(9-20-8-12)25-11(2)3/h4,7-9,11,14H,1,5-6,10H2,2-3H3,(H,21,23)
InChIKeyAEZMIAMWFLKHLA-UHFFFAOYSA-N
MW353.37 g/mol
LogP2.02
Rot. Bonds5

About N-[4,4-difluoro-1-(5-propan-2-yloxypyridine-3-carbonyl)piperidin-3-yl]prop-2-enamide

N-[4,4-difluoro-1-(5-propan-2-yloxypyridine-3-carbonyl)piperidin-3-yl]prop-2-enamide (PubChem CID 172887608) has the molecular formula C17H21F2N3O3 and a molecular weight of 353.37 g/mol. Its IUPAC name is N-[4,4-difluoro-1-(5-propan-2-yloxypyridine-3-carbonyl)piperidin-3-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[4,4-difluoro-1-(5-propan-2-yloxypyridine-3-carbonyl)piperidin-3-yl]prop-2-enamide
PubChem CID172887608
Molecular FormulaC17H21F2N3O3
Molecular Weight353.37 g/mol
Exact Mass353.16
IUPAC NameN-[4,4-difluoro-1-(5-propan-2-yloxypyridine-3-carbonyl)piperidin-3-yl]prop-2-enamide
SMILESC=CC(=O)NC1CN(C(=O)c2cncc(OC(C)C)c2)CCC1(F)F
InChIInChI=1S/C17H21F2N3O3/c1-4-15(23)21-14-10-22(6-5-17(14,18)19)16(24)12-7-13(9-20-8-12)25-11(2)3/h4,7-9,11,14H,1,5-6,10H2,2-3H3,(H,21,23)
InChIKeyAEZMIAMWFLKHLA-UHFFFAOYSA-N
XLogP2.02
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

morpholin-4-yl-(5-propan-2-yloxy-3-pyridinyl)methanone
CID 53013984
1-[(2S)-2-benzyl-4-(5-propan-2-yloxypyridine-3-carbonyl)piperazin-1-yl]prop-2-en-1-one
CID 172888204
1-(5-propan-2-yloxy-3-pyridinyl)prop-2-en-1-one
CID 103453607
(7-tert-butyl-1,4-oxazepan-4-yl)-(5-propan-2-yloxy-3-pyridinyl)methanone
CID 138009746
N-[1-[2-(2-chloro-6-fluorophenyl)acetyl]-4,4-difluoropiperidin-3-yl]prop-2-enamide
CID 172887592
(2S,5S)-5-methyl-1-(5-propan-2-yloxypyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 154865526
1-(5-propan-2-yloxy-3-pyridinyl)-2-propylpentan-1-one
CID 115794638
(4-methylpiperidin-1-yl)-[5-(4-propan-2-yloxyanilino)-3-pyridinyl]methanone
CID 109227120
(2-methylcyclopentyl)-(5-propan-2-yloxy-3-pyridinyl)methanone
CID 107187372
N-[(3R)-4,4-difluoro-1-prop-2-enoylpiperidin-3-yl]-5-methylfuran-2-carboxamide
CID 172887689
4-amino-2-methyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-one
CID 116594885
(5-ethoxy-3-pyridinyl)-[(1R,6S)-7-oxa-3-azabicyclo[4.1.0]heptan-3-yl]methanone
CID 124748673

Frequently Asked Questions

What is the IUPAC name of N-[4,4-difluoro-1-(5-propan-2-yloxypyridine-3-carbonyl)piperidin-3-yl]prop-2-enamide?
The IUPAC name of N-[4,4-difluoro-1-(5-propan-2-yloxypyridine-3-carbonyl)piperidin-3-yl]prop-2-enamide (CID 172887608) is N-[4,4-difluoro-1-(5-propan-2-yloxypyridine-3-carbonyl)piperidin-3-yl]prop-2-enamide.
What is the SMILES notation for N-[4,4-difluoro-1-(5-propan-2-yloxypyridine-3-carbonyl)piperidin-3-yl]prop-2-enamide?
The canonical SMILES for N-[4,4-difluoro-1-(5-propan-2-yloxypyridine-3-carbonyl)piperidin-3-yl]prop-2-enamide is C=CC(=O)NC1CN(C(=O)c2cncc(OC(C)C)c2)CCC1(F)F.
What is the InChIKey of N-[4,4-difluoro-1-(5-propan-2-yloxypyridine-3-carbonyl)piperidin-3-yl]prop-2-enamide?
The InChIKey is AEZMIAMWFLKHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2N3O3/c1-4-15(23)21-14-10-22(6-5-17(14,18)19)16(24)12-7-13(9-20-8-12)25-11(2)3/h4,7-9,11,14H,1,5-6,10H2,2-3H3,(H,21,23).
What are the key properties of N-[4,4-difluoro-1-(5-propan-2-yloxypyridine-3-carbonyl)piperidin-3-yl]prop-2-enamide?
N-[4,4-difluoro-1-(5-propan-2-yloxypyridine-3-carbonyl)piperidin-3-yl]prop-2-enamide has a molecular weight of 353.37 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,4-difluoro-1-(5-propan-2-yloxypyridine-3-carbonyl)piperidin-3-yl]prop-2-enamide is sourced from PubChem (CID 172887608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).