[(3R)-3-aminopiperidin-1-yl]-[(1R,2R)-2-(3,4-dichlorophenyl)cyclopropyl]methanone

C15H18Cl2N2O — CID 124623002

IUPAC[(3R)-3-aminopiperidin-1-yl]-[(1R,2R)-2-(3,4-dichlorophenyl)cyclopropyl]methanone
SMILESN[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C15H18Cl2N2O/c16-13-4-3-9(6-14(13)17)11-7-12(11)15(20)19-5-1-2-10(18)8-19/h3-4,6,10-12H,1-2,5,7-8,18H2/t10-,11+,12-/m1/s1
InChIKeyOFBKSERZXCIAFP-GRYCIOLGSA-N
MW313.23 g/mol
LogP3.05
Rot. Bonds2

About [(3R)-3-aminopiperidin-1-yl]-[(1R,2R)-2-(3,4-dichlorophenyl)cyclopropyl]methanone

[(3R)-3-aminopiperidin-1-yl]-[(1R,2R)-2-(3,4-dichlorophenyl)cyclopropyl]methanone (PubChem CID 124623002) has the molecular formula C15H18Cl2N2O and a molecular weight of 313.23 g/mol. Its IUPAC name is [(3R)-3-aminopiperidin-1-yl]-[(1R,2R)-2-(3,4-dichlorophenyl)cyclopropyl]methanone.

Molecular Properties

Compound Name[(3R)-3-aminopiperidin-1-yl]-[(1R,2R)-2-(3,4-dichlorophenyl)cyclopropyl]methanone
PubChem CID124623002
Molecular FormulaC15H18Cl2N2O
Molecular Weight313.23 g/mol
Exact Mass312.08
IUPAC Name[(3R)-3-aminopiperidin-1-yl]-[(1R,2R)-2-(3,4-dichlorophenyl)cyclopropyl]methanone
SMILESN[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C15H18Cl2N2O/c16-13-4-3-9(6-14(13)17)11-7-12(11)15(20)19-5-1-2-10(18)8-19/h3-4,6,10-12H,1-2,5,7-8,18H2/t10-,11+,12-/m1/s1
InChIKeyOFBKSERZXCIAFP-GRYCIOLGSA-N
XLogP3.05
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.23
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

[(3R)-3-aminopiperidin-1-yl]-[(1S,2R)-2-(3,4-dichlorophenyl)cyclopropyl]methanone
CID 124623000
(3R)-1-[(1S,2S)-2-(3,4-dichlorophenyl)cyclopropanecarbonyl]piperidine-3-carboxamide
CID 98760990
[(3R)-3-aminopiperidin-1-yl]-(2-phenylcyclopropyl)methanone
CID 102978507
[2-(3,4-dichlorophenyl)cyclopropyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119539791
[(3R)-3-aminopyrrolidin-1-yl]-[(1S,2S)-2-(3,4-difluorophenyl)cyclopropyl]methanone
CID 124699536
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-[2-(3,4-dichlorophenyl)cyclopropyl]methanone
CID 120747860
[(3R)-3-aminopyrrolidin-1-yl]-[2-(3,4-difluorophenyl)cyclopropyl]methanone;hydrochloride
CID 119412379
(3-aminopyrrolidin-1-yl)-[2-(4-bromophenyl)cyclopropyl]methanone;hydrochloride
CID 119482952
(3S,4S)-1-[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120951480
1-[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251874
[2-(3,4-dichlorophenyl)cyclopropyl]-[4-[3-(dimethylamino)propyl]piperidin-1-yl]methanone
CID 75437645
cis-(1R,2S)-2-(3,4-dichlorophenyl)cyclopropane-1-carboxamide
CID 95245016

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-aminopiperidin-1-yl]-[(1R,2R)-2-(3,4-dichlorophenyl)cyclopropyl]methanone?
The IUPAC name of [(3R)-3-aminopiperidin-1-yl]-[(1R,2R)-2-(3,4-dichlorophenyl)cyclopropyl]methanone (CID 124623002) is [(3R)-3-aminopiperidin-1-yl]-[(1R,2R)-2-(3,4-dichlorophenyl)cyclopropyl]methanone.
What is the SMILES notation for [(3R)-3-aminopiperidin-1-yl]-[(1R,2R)-2-(3,4-dichlorophenyl)cyclopropyl]methanone?
The canonical SMILES for [(3R)-3-aminopiperidin-1-yl]-[(1R,2R)-2-(3,4-dichlorophenyl)cyclopropyl]methanone is N[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of [(3R)-3-aminopiperidin-1-yl]-[(1R,2R)-2-(3,4-dichlorophenyl)cyclopropyl]methanone?
The InChIKey is OFBKSERZXCIAFP-GRYCIOLGSA-N. The full InChI is InChI=1S/C15H18Cl2N2O/c16-13-4-3-9(6-14(13)17)11-7-12(11)15(20)19-5-1-2-10(18)8-19/h3-4,6,10-12H,1-2,5,7-8,18H2/t10-,11+,12-/m1/s1.
What are the key properties of [(3R)-3-aminopiperidin-1-yl]-[(1R,2R)-2-(3,4-dichlorophenyl)cyclopropyl]methanone?
[(3R)-3-aminopiperidin-1-yl]-[(1R,2R)-2-(3,4-dichlorophenyl)cyclopropyl]methanone has a molecular weight of 313.23 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-aminopiperidin-1-yl]-[(1R,2R)-2-(3,4-dichlorophenyl)cyclopropyl]methanone is sourced from PubChem (CID 124623002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).