3-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]cyclohexane-1-carboxamide

C20H29F2N3O — CID 53322826

IUPAC3-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]cyclohexane-1-carboxamide
SMILESNC(=O)C1CCCC(N2CCC([C@H](N)Cc3cc(F)ccc3F)CC2)C1
InChIInChI=1S/C20H29F2N3O/c21-16-4-5-18(22)15(10-16)12-19(23)13-6-8-25(9-7-13)17-3-1-2-14(11-17)20(24)26/h4-5,10,13-14,17,19H,1-3,6-9,11-12,23H2,(H2,24,26)/t14?,17?,19-/m1/s1
InChIKeyOASXAPUIZDEBLF-ITXXBFQVSA-N
MW365.47 g/mol
LogP2.59
Rot. Bonds5

About 3-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]cyclohexane-1-carboxamide

3-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]cyclohexane-1-carboxamide (PubChem CID 53322826) has the molecular formula C20H29F2N3O and a molecular weight of 365.47 g/mol. Its IUPAC name is 3-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]cyclohexane-1-carboxamide
PubChem CID53322826
Molecular FormulaC20H29F2N3O
Molecular Weight365.47 g/mol
Exact Mass365.23
IUPAC Name3-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]cyclohexane-1-carboxamide
SMILESNC(=O)C1CCCC(N2CCC([C@H](N)Cc3cc(F)ccc3F)CC2)C1
InChIInChI=1S/C20H29F2N3O/c21-16-4-5-18(22)15(10-16)12-19(23)13-6-8-25(9-7-13)17-3-1-2-14(11-17)20(24)26/h4-5,10,13-14,17,19H,1-3,6-9,11-12,23H2,(H2,24,26)/t14?,17?,19-/m1/s1
InChIKeyOASXAPUIZDEBLF-ITXXBFQVSA-N
XLogP2.59
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]cyclohexane-1-carboxamide with MolForge

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Related Compounds

alpha,alpha-Diphenyl-1-piperidinebutanamide
CID 65573
N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2,2-diphenylacetamide
CID 9950970
alpha-Phenyl-2-piperidineacetamide
CID 86862
(4R,5R)-5-amino-1-(2-phenylethyl)-4-(2,4,5-trifluorophenyl)piperidin-2-one
CID 16203033
(4R,5R)-5-amino-1-benzyl-4-(2,4,5-trifluorophenyl)piperidin-2-one
CID 16204463
(4R,5R)-5-amino-1-(3-phenylpropyl)-4-(2,4,5-trifluorophenyl)piperidin-2-one
CID 16204464
(4R,5R)-5-amino-1-[(2S)-2-phenylpropyl]-4-(2,4,5-trifluorophenyl)piperidin-2-one
CID 16204465
N-methyl-4-phenyl-1-[4-(propan-2-yl)cyclohexyl]piperidine-4-carboxamide
CID 24776411
4-Phenyl-1-[4-(propan-2-yl)cyclohexyl]piperidine-4-carboxamide
CID 24776413
(+/-)-threo-N-Benzylmethylphenidate amide
CID 52946374
(1S,2S)-1-(dimethylcarbamoyl)-1-[4-(4-fluorophenyl)phenyl]-3-oxo-3-(piperidin-1-yl)propan-2-aminium; 2,2,2-trifluoroacetate
CID 91895779
(alphaR,2R)-alpha-Phenyl-2-piperidineacetamide
CID 11085277

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]cyclohexane-1-carboxamide?
The IUPAC name of 3-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]cyclohexane-1-carboxamide (CID 53322826) is 3-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]cyclohexane-1-carboxamide is NC(=O)C1CCCC(N2CCC([C@H](N)Cc3cc(F)ccc3F)CC2)C1.
What is the InChIKey of 3-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]cyclohexane-1-carboxamide?
The InChIKey is OASXAPUIZDEBLF-ITXXBFQVSA-N. The full InChI is InChI=1S/C20H29F2N3O/c21-16-4-5-18(22)15(10-16)12-19(23)13-6-8-25(9-7-13)17-3-1-2-14(11-17)20(24)26/h4-5,10,13-14,17,19H,1-3,6-9,11-12,23H2,(H2,24,26)/t14?,17?,19-/m1/s1.
What are the key properties of 3-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]cyclohexane-1-carboxamide?
3-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]cyclohexane-1-carboxamide has a molecular weight of 365.47 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 53322826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).