4,4-difluoro-N-propan-2-ylpiperidine-1-carboxamide

C9H16F2N2O — CID 121184657

IUPAC4,4-difluoro-N-propan-2-ylpiperidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCC(F)(F)CC1
InChIInChI=1S/C9H16F2N2O/c1-7(2)12-8(14)13-5-3-9(10,11)4-6-13/h7H,3-6H2,1-2H3,(H,12,14)
InChIKeyAGASRFSWUXWJJM-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.84
Rot. Bonds1

About 4,4-difluoro-N-propan-2-ylpiperidine-1-carboxamide

4,4-difluoro-N-propan-2-ylpiperidine-1-carboxamide (PubChem CID 121184657) has the molecular formula C9H16F2N2O and a molecular weight of 206.24 g/mol. Its IUPAC name is 4,4-difluoro-N-propan-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4,4-difluoro-N-propan-2-ylpiperidine-1-carboxamide
PubChem CID121184657
Molecular FormulaC9H16F2N2O
Molecular Weight206.24 g/mol
Exact Mass206.12
IUPAC Name4,4-difluoro-N-propan-2-ylpiperidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCC(F)(F)CC1
InChIInChI=1S/C9H16F2N2O/c1-7(2)12-8(14)13-5-3-9(10,11)4-6-13/h7H,3-6H2,1-2H3,(H,12,14)
InChIKeyAGASRFSWUXWJJM-UHFFFAOYSA-N
XLogP1.84
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1-Acetylpiperidin-4-yl)-3-(4,4-difluorocyclohexyl)urea
CID 25069498
N-[2,2,3,3,4,4,5,5-octafluoro-1-(1-piperidinyl)pentyl]acetamide
CID 2852094
N-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methylpiperidine-1-carboxamide
CID 935326
1-Piperidinecarboxamide, 3-amino-N,N-dimethyl-
CID 21482877
4-Amino-N-methyl-1-piperidinecarboxamide
CID 53256183
1,3-Dimethyl-1-(1-methylpiperidin-4-yl)urea
CID 54043995
3-Methyl-1-(1-methylpiperidin-4-yl)urea
CID 59833286
1-[1-(2,2-Difluoroethyl)piperidin-4-yl]-3-(2-methyl-2-methylsulfanylpropyl)urea
CID 84585145
N-(2,2-difluoroethyl)-3-methylpiperidine-1-carboxamide
CID 84595795
n-Butylpiperidine-1-carboxamide
CID 256864
2-methyl-N-propylpiperidine-1-carboxamide
CID 6468414
N-[1,1-bis(trifluoromethyl)propyl]-4-methyl-1-piperidinecarboximidic acid
CID 671812

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N-propan-2-ylpiperidine-1-carboxamide?
The IUPAC name of 4,4-difluoro-N-propan-2-ylpiperidine-1-carboxamide (CID 121184657) is 4,4-difluoro-N-propan-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for 4,4-difluoro-N-propan-2-ylpiperidine-1-carboxamide?
The canonical SMILES for 4,4-difluoro-N-propan-2-ylpiperidine-1-carboxamide is CC(C)NC(=O)N1CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluoro-N-propan-2-ylpiperidine-1-carboxamide?
The InChIKey is AGASRFSWUXWJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2O/c1-7(2)12-8(14)13-5-3-9(10,11)4-6-13/h7H,3-6H2,1-2H3,(H,12,14).
What are the key properties of 4,4-difluoro-N-propan-2-ylpiperidine-1-carboxamide?
4,4-difluoro-N-propan-2-ylpiperidine-1-carboxamide has a molecular weight of 206.24 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N-propan-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 121184657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).