3,3-difluoro-N-(1-propan-2-ylpiperidin-4-yl)piperidine-1-carboxamide

C14H25F2N3O — CID 126752762

IUPAC3,3-difluoro-N-(1-propan-2-ylpiperidin-4-yl)piperidine-1-carboxamide
SMILESCC(C)N1CCC(NC(=O)N2CCCC(F)(F)C2)CC1
InChIInChI=1S/C14H25F2N3O/c1-11(2)18-8-4-12(5-9-18)17-13(20)19-7-3-6-14(15,16)10-19/h11-12H,3-10H2,1-2H3,(H,17,20)
InChIKeyMOCMFZDKISVFCJ-UHFFFAOYSA-N
MW289.37 g/mol
LogP2.30
Rot. Bonds2

About 3,3-difluoro-N-(1-propan-2-ylpiperidin-4-yl)piperidine-1-carboxamide

3,3-difluoro-N-(1-propan-2-ylpiperidin-4-yl)piperidine-1-carboxamide (PubChem CID 126752762) has the molecular formula C14H25F2N3O and a molecular weight of 289.37 g/mol. Its IUPAC name is 3,3-difluoro-N-(1-propan-2-ylpiperidin-4-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3,3-difluoro-N-(1-propan-2-ylpiperidin-4-yl)piperidine-1-carboxamide
PubChem CID126752762
Molecular FormulaC14H25F2N3O
Molecular Weight289.37 g/mol
Exact Mass289.20
IUPAC Name3,3-difluoro-N-(1-propan-2-ylpiperidin-4-yl)piperidine-1-carboxamide
SMILESCC(C)N1CCC(NC(=O)N2CCCC(F)(F)C2)CC1
InChIInChI=1S/C14H25F2N3O/c1-11(2)18-8-4-12(5-9-18)17-13(20)19-7-3-6-14(15,16)10-19/h11-12H,3-10H2,1-2H3,(H,17,20)
InChIKeyMOCMFZDKISVFCJ-UHFFFAOYSA-N
XLogP2.30
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-cyclohexyl-N-methyl-N-(1-methyl-4-piperidinyl)urea
CID 974775
1-(1-Acetylpiperidin-4-yl)-3-(4,4-difluorocyclohexyl)urea
CID 25069498
1-Cyclohexyl-3-(1-methylpiperidin-4-yl)urea
CID 6468634
N-cyclohexyl-N'-(1-isopropyl-4-piperidinyl)urea
CID 6466102
3-Methyl-1-(1-methylpiperidin-4-yl)urea
CID 59833286
1-(1-Ethylpiperidin-4-yl)-3-propylurea
CID 6468806
3,3-Dimethyl-1-(piperidin-4-yl)urea
CID 18677692
1,3-Di(piperidin-4-yl)urea
CID 58973009
3,3-Dimethyl-1-(1-methylpiperidin-4-yl)urea hydrochloride
CID 145915351
N-piperidin-4-ylpiperazine-1-carboxamide
CID 163644089
1-(3-Piperidin-1-ylpropyl)-1,3-diazinan-2-one
CID 44373963
N-cyclohexyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 45497352

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-(1-propan-2-ylpiperidin-4-yl)piperidine-1-carboxamide?
The IUPAC name of 3,3-difluoro-N-(1-propan-2-ylpiperidin-4-yl)piperidine-1-carboxamide (CID 126752762) is 3,3-difluoro-N-(1-propan-2-ylpiperidin-4-yl)piperidine-1-carboxamide.
What is the SMILES notation for 3,3-difluoro-N-(1-propan-2-ylpiperidin-4-yl)piperidine-1-carboxamide?
The canonical SMILES for 3,3-difluoro-N-(1-propan-2-ylpiperidin-4-yl)piperidine-1-carboxamide is CC(C)N1CCC(NC(=O)N2CCCC(F)(F)C2)CC1.
What is the InChIKey of 3,3-difluoro-N-(1-propan-2-ylpiperidin-4-yl)piperidine-1-carboxamide?
The InChIKey is MOCMFZDKISVFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F2N3O/c1-11(2)18-8-4-12(5-9-18)17-13(20)19-7-3-6-14(15,16)10-19/h11-12H,3-10H2,1-2H3,(H,17,20).
What are the key properties of 3,3-difluoro-N-(1-propan-2-ylpiperidin-4-yl)piperidine-1-carboxamide?
3,3-difluoro-N-(1-propan-2-ylpiperidin-4-yl)piperidine-1-carboxamide has a molecular weight of 289.37 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-(1-propan-2-ylpiperidin-4-yl)piperidine-1-carboxamide is sourced from PubChem (CID 126752762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).