5-(3,3-difluoropiperidin-1-yl)-2-formamido-5-oxopentanamide

C11H17F2N3O3 — CID 175824315

IUPAC5-(3,3-difluoropiperidin-1-yl)-2-formamido-5-oxopentanamide
SMILESNC(=O)C(CCC(=O)N1CCCC(F)(F)C1)NC=O
InChIInChI=1S/C11H17F2N3O3/c12-11(13)4-1-5-16(6-11)9(18)3-2-8(10(14)19)15-7-17/h7-8H,1-6H2,(H2,14,19)(H,15,17)
InChIKeySMUZUKDEMAADHT-UHFFFAOYSA-N
MW277.27 g/mol
LogP-0.38
Rot. Bonds6

About 5-(3,3-difluoropiperidin-1-yl)-2-formamido-5-oxopentanamide

5-(3,3-difluoropiperidin-1-yl)-2-formamido-5-oxopentanamide (PubChem CID 175824315) has the molecular formula C11H17F2N3O3 and a molecular weight of 277.27 g/mol. Its IUPAC name is 5-(3,3-difluoropiperidin-1-yl)-2-formamido-5-oxopentanamide.

Molecular Properties

Compound Name5-(3,3-difluoropiperidin-1-yl)-2-formamido-5-oxopentanamide
PubChem CID175824315
Molecular FormulaC11H17F2N3O3
Molecular Weight277.27 g/mol
Exact Mass277.12
IUPAC Name5-(3,3-difluoropiperidin-1-yl)-2-formamido-5-oxopentanamide
SMILESNC(=O)C(CCC(=O)N1CCCC(F)(F)C1)NC=O
InChIInChI=1S/C11H17F2N3O3/c12-11(13)4-1-5-16(6-11)9(18)3-2-8(10(14)19)15-7-17/h7-8H,1-6H2,(H2,14,19)(H,15,17)
InChIKeySMUZUKDEMAADHT-UHFFFAOYSA-N
XLogP-0.38
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(3,3-difluoropiperidin-1-yl)-2-formamido-5-oxopentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Fasoracetam
CID 198695
(S)-N-(2,6-Dioxopiperidin-3-yl)pentanamide
CID 10965828
5-(Piperidine-1-carbonyl)pyrrolidin-2-one
CID 3042287
(R)-4-((S)-3-amino-4-(2-oxopiperidin-1-yl)butanoyl)-3-(2,2,2-trifluoroethyl)-1,4-diazepan-2-one
CID 44561193
Cyclo(-ala-gln)
CID 9209568
3-Amino-1-(2,2,2-trifluoroethyl)piperidin-2-one
CID 64238355
3-(Piperazin-1-yl)-1-(2,2,2-trifluoroethyl)piperidin-2-one
CID 75450947
(5S)-5-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 95050742
N-cyclopropyl-1-[2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrrolidine-2-carboxamide
CID 128159632
2,2,2-trifluoro-N-[(3S)-1-methyl-2,6-dioxopiperidin-3-yl]acetamide
CID 59049807
Pyrrolidin-2-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 60717885
[(2S)-pyrrolidin-2-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 61259980

Frequently Asked Questions

What is the IUPAC name of 5-(3,3-difluoropiperidin-1-yl)-2-formamido-5-oxopentanamide?
The IUPAC name of 5-(3,3-difluoropiperidin-1-yl)-2-formamido-5-oxopentanamide (CID 175824315) is 5-(3,3-difluoropiperidin-1-yl)-2-formamido-5-oxopentanamide.
What is the SMILES notation for 5-(3,3-difluoropiperidin-1-yl)-2-formamido-5-oxopentanamide?
The canonical SMILES for 5-(3,3-difluoropiperidin-1-yl)-2-formamido-5-oxopentanamide is NC(=O)C(CCC(=O)N1CCCC(F)(F)C1)NC=O.
What is the InChIKey of 5-(3,3-difluoropiperidin-1-yl)-2-formamido-5-oxopentanamide?
The InChIKey is SMUZUKDEMAADHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N3O3/c12-11(13)4-1-5-16(6-11)9(18)3-2-8(10(14)19)15-7-17/h7-8H,1-6H2,(H2,14,19)(H,15,17).
What are the key properties of 5-(3,3-difluoropiperidin-1-yl)-2-formamido-5-oxopentanamide?
5-(3,3-difluoropiperidin-1-yl)-2-formamido-5-oxopentanamide has a molecular weight of 277.27 g/mol, XLogP of -0.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-difluoropiperidin-1-yl)-2-formamido-5-oxopentanamide is sourced from PubChem (CID 175824315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).