(4-aminopiperidin-1-yl)-[(1S,2S)-2-(3,4-difluorophenyl)cyclopropyl]methanone

C15H18F2N2O — CID 100644316

IUPAC(4-aminopiperidin-1-yl)-[(1S,2S)-2-(3,4-difluorophenyl)cyclopropyl]methanone
SMILESNC1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C15H18F2N2O/c16-13-2-1-9(7-14(13)17)11-8-12(11)15(20)19-5-3-10(18)4-6-19/h1-2,7,10-12H,3-6,8,18H2/t11-,12+/m1/s1
InChIKeyCNSHQCTVLIKJOW-NEPJUHHUSA-N
MW280.32 g/mol
LogP2.02
Rot. Bonds2

About (4-aminopiperidin-1-yl)-[(1S,2S)-2-(3,4-difluorophenyl)cyclopropyl]methanone

(4-aminopiperidin-1-yl)-[(1S,2S)-2-(3,4-difluorophenyl)cyclopropyl]methanone (PubChem CID 100644316) has the molecular formula C15H18F2N2O and a molecular weight of 280.32 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-[(1S,2S)-2-(3,4-difluorophenyl)cyclopropyl]methanone.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-[(1S,2S)-2-(3,4-difluorophenyl)cyclopropyl]methanone
PubChem CID100644316
Molecular FormulaC15H18F2N2O
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name(4-aminopiperidin-1-yl)-[(1S,2S)-2-(3,4-difluorophenyl)cyclopropyl]methanone
SMILESNC1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C15H18F2N2O/c16-13-2-1-9(7-14(13)17)11-8-12(11)15(20)19-5-3-10(18)4-6-19/h1-2,7,10-12H,3-6,8,18H2/t11-,12+/m1/s1
InChIKeyCNSHQCTVLIKJOW-NEPJUHHUSA-N
XLogP2.02
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4-aminopiperidin-1-yl)-[(1S,2S)-2-(3,4-difluorophenyl)cyclopropyl]methanone with MolForge

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Related Compounds

[(3R)-3-aminopyrrolidin-1-yl]-[(1S,2S)-2-(3,4-difluorophenyl)cyclopropyl]methanone
CID 124699536
[(3R)-3-aminopyrrolidin-1-yl]-[2-(3,4-difluorophenyl)cyclopropyl]methanone;hydrochloride
CID 119412379
[4-(1-aminoethyl)piperidin-1-yl]-[2-(3,4-difluorophenyl)cyclopropyl]methanone
CID 119519871
(4-aminopiperidin-1-yl)-[2-(3-chlorophenyl)cyclopropyl]methanone
CID 119374366
cis-(1R,2S)-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide
CID 124562405
[(3R)-3-aminopyrrolidin-1-yl]-[2-(3-fluorophenyl)cyclopropyl]methanone;hydrochloride
CID 119412312
[2-(3,4-difluorophenyl)cyclopropyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119492182
1-[2-(3,4-difluorophenyl)cyclopropanecarbonyl]pyrrolidine-2-carboxylic acid
CID 119356871
(2R)-1-[(1S,2R)-2-(3,4-difluorophenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid
CID 124572542
1-[2-(3,4-difluorophenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid
CID 91647027
(2R,3R)-1-[2-(3,4-difluorophenyl)cyclopropanecarbonyl]-2-methylpiperidine-3-carboxylic acid
CID 122115873
1-[1-[(1S,2R)-2-(3,4-difluorophenyl)cyclopropanecarbonyl]azetidin-3-yl]imidazolidin-2-one
CID 124881564

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-[(1S,2S)-2-(3,4-difluorophenyl)cyclopropyl]methanone?
The IUPAC name of (4-aminopiperidin-1-yl)-[(1S,2S)-2-(3,4-difluorophenyl)cyclopropyl]methanone (CID 100644316) is (4-aminopiperidin-1-yl)-[(1S,2S)-2-(3,4-difluorophenyl)cyclopropyl]methanone.
What is the SMILES notation for (4-aminopiperidin-1-yl)-[(1S,2S)-2-(3,4-difluorophenyl)cyclopropyl]methanone?
The canonical SMILES for (4-aminopiperidin-1-yl)-[(1S,2S)-2-(3,4-difluorophenyl)cyclopropyl]methanone is NC1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)CC1.
What is the InChIKey of (4-aminopiperidin-1-yl)-[(1S,2S)-2-(3,4-difluorophenyl)cyclopropyl]methanone?
The InChIKey is CNSHQCTVLIKJOW-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H18F2N2O/c16-13-2-1-9(7-14(13)17)11-8-12(11)15(20)19-5-3-10(18)4-6-19/h1-2,7,10-12H,3-6,8,18H2/t11-,12+/m1/s1.
What are the key properties of (4-aminopiperidin-1-yl)-[(1S,2S)-2-(3,4-difluorophenyl)cyclopropyl]methanone?
(4-aminopiperidin-1-yl)-[(1S,2S)-2-(3,4-difluorophenyl)cyclopropyl]methanone has a molecular weight of 280.32 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-[(1S,2S)-2-(3,4-difluorophenyl)cyclopropyl]methanone is sourced from PubChem (CID 100644316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).