N-butan-2-yl-3,3-difluoropiperidine-1-carboxamide

C10H18F2N2O — CID 123172605

IUPACN-butan-2-yl-3,3-difluoropiperidine-1-carboxamide
SMILESCCC(C)NC(=O)N1CCCC(F)(F)C1
InChIInChI=1S/C10H18F2N2O/c1-3-8(2)13-9(15)14-6-4-5-10(11,12)7-14/h8H,3-7H2,1-2H3,(H,13,15)
InChIKeyJBHKVKGDVAJBHL-UHFFFAOYSA-N
MW220.26 g/mol
LogP2.23
Rot. Bonds2

About N-butan-2-yl-3,3-difluoropiperidine-1-carboxamide

N-butan-2-yl-3,3-difluoropiperidine-1-carboxamide (PubChem CID 123172605) has the molecular formula C10H18F2N2O and a molecular weight of 220.26 g/mol. Its IUPAC name is N-butan-2-yl-3,3-difluoropiperidine-1-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-3,3-difluoropiperidine-1-carboxamide
PubChem CID123172605
Molecular FormulaC10H18F2N2O
Molecular Weight220.26 g/mol
Exact Mass220.14
IUPAC NameN-butan-2-yl-3,3-difluoropiperidine-1-carboxamide
SMILESCCC(C)NC(=O)N1CCCC(F)(F)C1
InChIInChI=1S/C10H18F2N2O/c1-3-8(2)13-9(15)14-6-4-5-10(11,12)7-14/h8H,3-7H2,1-2H3,(H,13,15)
InChIKeyJBHKVKGDVAJBHL-UHFFFAOYSA-N
XLogP2.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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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
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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3,3-difluoropiperidine-1-carboxamide?
The IUPAC name of N-butan-2-yl-3,3-difluoropiperidine-1-carboxamide (CID 123172605) is N-butan-2-yl-3,3-difluoropiperidine-1-carboxamide.
What is the SMILES notation for N-butan-2-yl-3,3-difluoropiperidine-1-carboxamide?
The canonical SMILES for N-butan-2-yl-3,3-difluoropiperidine-1-carboxamide is CCC(C)NC(=O)N1CCCC(F)(F)C1.
What is the InChIKey of N-butan-2-yl-3,3-difluoropiperidine-1-carboxamide?
The InChIKey is JBHKVKGDVAJBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2O/c1-3-8(2)13-9(15)14-6-4-5-10(11,12)7-14/h8H,3-7H2,1-2H3,(H,13,15).
What are the key properties of N-butan-2-yl-3,3-difluoropiperidine-1-carboxamide?
N-butan-2-yl-3,3-difluoropiperidine-1-carboxamide has a molecular weight of 220.26 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3,3-difluoropiperidine-1-carboxamide is sourced from PubChem (CID 123172605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).