2-[1-(3,3-difluorocyclobutyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide

C14H25F2N3O — CID 143215228

IUPAC2-[1-(3,3-difluorocyclobutyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide
SMILESCNCC(CC1CC(F)(F)C1)C1CCCCN1C(N)=O
InChIInChI=1S/C14H25F2N3O/c1-18-9-11(6-10-7-14(15,16)8-10)12-4-2-3-5-19(12)13(17)20/h10-12,18H,2-9H2,1H3,(H2,17,20)
InChIKeySNZFNAWXFGYUPK-UHFFFAOYSA-N
MW289.37 g/mol
LogP2.19
Rot. Bonds5

About 2-[1-(3,3-difluorocyclobutyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide

2-[1-(3,3-difluorocyclobutyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide (PubChem CID 143215228) has the molecular formula C14H25F2N3O and a molecular weight of 289.37 g/mol. Its IUPAC name is 2-[1-(3,3-difluorocyclobutyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name2-[1-(3,3-difluorocyclobutyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide
PubChem CID143215228
Molecular FormulaC14H25F2N3O
Molecular Weight289.37 g/mol
Exact Mass289.20
IUPAC Name2-[1-(3,3-difluorocyclobutyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide
SMILESCNCC(CC1CC(F)(F)C1)C1CCCCN1C(N)=O
InChIInChI=1S/C14H25F2N3O/c1-18-9-11(6-10-7-14(15,16)8-10)12-4-2-3-5-19(12)13(17)20/h10-12,18H,2-9H2,1H3,(H2,17,20)
InChIKeySNZFNAWXFGYUPK-UHFFFAOYSA-N
XLogP2.19
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(2,2-Difluoroethyl)piperidin-4-yl]-3-(2-methylcyclopentyl)urea
CID 56826843
N,2-dimethyl-3-(trifluoromethyl)piperidine-1-carboxamide
CID 132297135
7,8-Dimethyl-4-(2,2,2-trifluoroethyl)-2,4-diazabicyclo[4.2.0]octan-3-one
CID 67968737
4-(2,2-Difluoropropyl)-7,8-dimethyl-2,4-diazabicyclo[4.2.0]octan-3-one
CID 67968738
5-Methyl-4-propan-2-yl-1-(2,2,2-trifluoroethyl)-1,3-diazinan-2-one
CID 67976490
2-[(2S)-1-(4-fluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide
CID 69466705
2-[1-(4-Fluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide
CID 69466706
2-[(2S)-5,5,5-trifluoro-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide
CID 69468021
2-[(2S)-1-(4,4-difluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide
CID 69469607
2-[1-(4,4-Difluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide
CID 69469624
2-[(2S)-1-(1-fluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide
CID 69470903
2-[1-(1-Fluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide
CID 69470906

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,3-difluorocyclobutyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide?
The IUPAC name of 2-[1-(3,3-difluorocyclobutyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide (CID 143215228) is 2-[1-(3,3-difluorocyclobutyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for 2-[1-(3,3-difluorocyclobutyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide?
The canonical SMILES for 2-[1-(3,3-difluorocyclobutyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide is CNCC(CC1CC(F)(F)C1)C1CCCCN1C(N)=O.
What is the InChIKey of 2-[1-(3,3-difluorocyclobutyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide?
The InChIKey is SNZFNAWXFGYUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F2N3O/c1-18-9-11(6-10-7-14(15,16)8-10)12-4-2-3-5-19(12)13(17)20/h10-12,18H,2-9H2,1H3,(H2,17,20).
What are the key properties of 2-[1-(3,3-difluorocyclobutyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide?
2-[1-(3,3-difluorocyclobutyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide has a molecular weight of 289.37 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,3-difluorocyclobutyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 143215228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).