N-[(1S)-3,3-difluorocyclohexyl]-2-methoxy-N-piperidin-4-ylacetamide

C14H24F2N2O2 — CID 70952578

IUPACN-[(1S)-3,3-difluorocyclohexyl]-2-methoxy-N-piperidin-4-ylacetamide
SMILESCOCC(=O)N(C1CCNCC1)[C@H]1CCCC(F)(F)C1
InChIInChI=1S/C14H24F2N2O2/c1-20-10-13(19)18(11-4-7-17-8-5-11)12-3-2-6-14(15,16)9-12/h11-12,17H,2-10H2,1H3/t12-/m0/s1
InChIKeyZSLMRRJAZZNFRU-LBPRGKRZSA-N
MW290.35 g/mol
LogP1.79
Rot. Bonds4

About N-[(1S)-3,3-difluorocyclohexyl]-2-methoxy-N-piperidin-4-ylacetamide

N-[(1S)-3,3-difluorocyclohexyl]-2-methoxy-N-piperidin-4-ylacetamide (PubChem CID 70952578) has the molecular formula C14H24F2N2O2 and a molecular weight of 290.35 g/mol. Its IUPAC name is N-[(1S)-3,3-difluorocyclohexyl]-2-methoxy-N-piperidin-4-ylacetamide.

Molecular Properties

Compound NameN-[(1S)-3,3-difluorocyclohexyl]-2-methoxy-N-piperidin-4-ylacetamide
PubChem CID70952578
Molecular FormulaC14H24F2N2O2
Molecular Weight290.35 g/mol
Exact Mass290.18
IUPAC NameN-[(1S)-3,3-difluorocyclohexyl]-2-methoxy-N-piperidin-4-ylacetamide
SMILESCOCC(=O)N(C1CCNCC1)[C@H]1CCCC(F)(F)C1
InChIInChI=1S/C14H24F2N2O2/c1-20-10-13(19)18(11-4-7-17-8-5-11)12-3-2-6-14(15,16)9-12/h11-12,17H,2-10H2,1H3/t12-/m0/s1
InChIKeyZSLMRRJAZZNFRU-LBPRGKRZSA-N
XLogP1.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Aminopiperidin-1-yl)-2-methoxyethan-1-one
CID 16777912
1-(4-Aminopiperidin-1-yl)-2-methoxyethan-1-one hydrochloride
CID 42937265
2-Methoxy-N-(piperidin-4-yl)acetamide
CID 16782129
N-cyclohexyl-4-methyl-N-(3,3,3-trifluoropropyl)morpholine-2-carboxamide
CID 71858932
5-[(4,4-Difluoropiperidin-1-yl)methyl]morpholin-3-one
CID 25054156
[2-[Methyl(piperidin-4-yl)amino]-2-oxoethyl] 2,2,2-trifluoroacetate
CID 68475368
N-[(1R)-3,3-difluorocyclohexyl]-2-hydroxy-N-piperidin-4-ylacetamide
CID 70952478
N-[(1R)-3,3-difluorocyclohexyl]-2-methoxy-N-piperidin-4-ylacetamide
CID 70954255
N-(3,3-difluorocyclohexyl)-2-hydroxy-N-piperidin-4-ylacetamide
CID 77967916
[2-[Ethyl(piperidin-4-yl)amino]-2-oxoethyl] 2,2,2-trifluoroacetate
CID 137369412
5-[(4,4-Difluoropiperidin-1-yl)methyl]morpholin-3-one;ethane
CID 145497278
[2-[2,2-Dimethylpropyl(piperidin-4-yl)amino]-2-oxoethyl] 2,2,2-trifluoroacetate
CID 155130927

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-3,3-difluorocyclohexyl]-2-methoxy-N-piperidin-4-ylacetamide?
The IUPAC name of N-[(1S)-3,3-difluorocyclohexyl]-2-methoxy-N-piperidin-4-ylacetamide (CID 70952578) is N-[(1S)-3,3-difluorocyclohexyl]-2-methoxy-N-piperidin-4-ylacetamide.
What is the SMILES notation for N-[(1S)-3,3-difluorocyclohexyl]-2-methoxy-N-piperidin-4-ylacetamide?
The canonical SMILES for N-[(1S)-3,3-difluorocyclohexyl]-2-methoxy-N-piperidin-4-ylacetamide is COCC(=O)N(C1CCNCC1)[C@H]1CCCC(F)(F)C1.
What is the InChIKey of N-[(1S)-3,3-difluorocyclohexyl]-2-methoxy-N-piperidin-4-ylacetamide?
The InChIKey is ZSLMRRJAZZNFRU-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H24F2N2O2/c1-20-10-13(19)18(11-4-7-17-8-5-11)12-3-2-6-14(15,16)9-12/h11-12,17H,2-10H2,1H3/t12-/m0/s1.
What are the key properties of N-[(1S)-3,3-difluorocyclohexyl]-2-methoxy-N-piperidin-4-ylacetamide?
N-[(1S)-3,3-difluorocyclohexyl]-2-methoxy-N-piperidin-4-ylacetamide has a molecular weight of 290.35 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-3,3-difluorocyclohexyl]-2-methoxy-N-piperidin-4-ylacetamide is sourced from PubChem (CID 70952578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).