[(3R)-3-aminopiperidin-1-yl]-(2-phenylcyclopropyl)methanone

C15H20N2O — CID 102978507

IUPAC[(3R)-3-aminopiperidin-1-yl]-(2-phenylcyclopropyl)methanone
SMILESN[C@@H]1CCCN(C(=O)C2CC2c2ccccc2)C1
InChIInChI=1S/C15H20N2O/c16-12-7-4-8-17(10-12)15(18)14-9-13(14)11-5-2-1-3-6-11/h1-3,5-6,12-14H,4,7-10,16H2/t12-,13?,14?/m1/s1
InChIKeyWEHBZLJLDZONMG-IYXRBSQSSA-N
MW244.34 g/mol
LogP1.74
Rot. Bonds2

About [(3R)-3-aminopiperidin-1-yl]-(2-phenylcyclopropyl)methanone

[(3R)-3-aminopiperidin-1-yl]-(2-phenylcyclopropyl)methanone (PubChem CID 102978507) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is [(3R)-3-aminopiperidin-1-yl]-(2-phenylcyclopropyl)methanone.

Molecular Properties

Compound Name[(3R)-3-aminopiperidin-1-yl]-(2-phenylcyclopropyl)methanone
PubChem CID102978507
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name[(3R)-3-aminopiperidin-1-yl]-(2-phenylcyclopropyl)methanone
SMILESN[C@@H]1CCCN(C(=O)C2CC2c2ccccc2)C1
InChIInChI=1S/C15H20N2O/c16-12-7-4-8-17(10-12)15(18)14-9-13(14)11-5-2-1-3-6-11/h1-3,5-6,12-14H,4,7-10,16H2/t12-,13?,14?/m1/s1
InChIKeyWEHBZLJLDZONMG-IYXRBSQSSA-N
XLogP1.74
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-hydroxypiperidin-1-yl)-(2-phenylcyclopropyl)methanone
CID 78971302
[3-(aminomethyl)pyrrolidin-1-yl]-(2-phenylcyclopropyl)methanone
CID 81479336
[(3R)-3-aminopiperidin-1-yl]-[(1S,2R)-2-(3,4-dichlorophenyl)cyclopropyl]methanone
CID 124623000
[(3R)-3-aminopiperidin-1-yl]-[(1R,2R)-2-(3,4-dichlorophenyl)cyclopropyl]methanone
CID 124623002
(2-phenylcyclopropyl)-(3-phenylpyrrolidin-1-yl)methanone;hydrochloride
CID 5331349
(3-bromo-4-methylpiperidin-1-yl)-(2-phenylcyclopropyl)methanone
CID 102962104
(3-aminopyrrolidin-1-yl)-[2-(4-bromophenyl)cyclopropyl]methanone;hydrochloride
CID 119482952
(3-aminopiperidin-1-yl)-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]methanone
CID 119377556
(4-hydroxy-3-methylpiperidin-1-yl)-(2-phenylcyclopropyl)methanone
CID 114501442
[(3R)-3-aminopyrrolidin-1-yl]-[2-(3-fluorophenyl)cyclopropyl]methanone;hydrochloride
CID 119412312
[(3S)-3-aminopyrrolidin-1-yl]-[(1S,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 124698676
[(3S)-3-aminopyrrolidin-1-yl]-[(1R,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 124702790

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-aminopiperidin-1-yl]-(2-phenylcyclopropyl)methanone?
The IUPAC name of [(3R)-3-aminopiperidin-1-yl]-(2-phenylcyclopropyl)methanone (CID 102978507) is [(3R)-3-aminopiperidin-1-yl]-(2-phenylcyclopropyl)methanone.
What is the SMILES notation for [(3R)-3-aminopiperidin-1-yl]-(2-phenylcyclopropyl)methanone?
The canonical SMILES for [(3R)-3-aminopiperidin-1-yl]-(2-phenylcyclopropyl)methanone is N[C@@H]1CCCN(C(=O)C2CC2c2ccccc2)C1.
What is the InChIKey of [(3R)-3-aminopiperidin-1-yl]-(2-phenylcyclopropyl)methanone?
The InChIKey is WEHBZLJLDZONMG-IYXRBSQSSA-N. The full InChI is InChI=1S/C15H20N2O/c16-12-7-4-8-17(10-12)15(18)14-9-13(14)11-5-2-1-3-6-11/h1-3,5-6,12-14H,4,7-10,16H2/t12-,13?,14?/m1/s1.
What are the key properties of [(3R)-3-aminopiperidin-1-yl]-(2-phenylcyclopropyl)methanone?
[(3R)-3-aminopiperidin-1-yl]-(2-phenylcyclopropyl)methanone has a molecular weight of 244.34 g/mol, XLogP of 1.74, 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]-(2-phenylcyclopropyl)methanone is sourced from PubChem (CID 102978507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).