[(3R)-3-aminopiperidin-1-yl]-[4-(dimethylamino)phenyl]methanone

C14H21N3O — CID 102983493

IUPAC[(3R)-3-aminopiperidin-1-yl]-[4-(dimethylamino)phenyl]methanone
SMILESCN(C)c1ccc(C(=O)N2CCC[C@@H](N)C2)cc1
InChIInChI=1S/C14H21N3O/c1-16(2)13-7-5-11(6-8-13)14(18)17-9-3-4-12(15)10-17/h5-8,12H,3-4,9-10,15H2,1-2H3/t12-/m1/s1
InChIKeyOZVNNPHFKUVZRQ-GFCCVEGCSA-N
MW247.34 g/mol
LogP1.32
Rot. Bonds2

About [(3R)-3-aminopiperidin-1-yl]-[4-(dimethylamino)phenyl]methanone

[(3R)-3-aminopiperidin-1-yl]-[4-(dimethylamino)phenyl]methanone (PubChem CID 102983493) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is [(3R)-3-aminopiperidin-1-yl]-[4-(dimethylamino)phenyl]methanone.

Molecular Properties

Compound Name[(3R)-3-aminopiperidin-1-yl]-[4-(dimethylamino)phenyl]methanone
PubChem CID102983493
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name[(3R)-3-aminopiperidin-1-yl]-[4-(dimethylamino)phenyl]methanone
SMILESCN(C)c1ccc(C(=O)N2CCC[C@@H](N)C2)cc1
InChIInChI=1S/C14H21N3O/c1-16(2)13-7-5-11(6-8-13)14(18)17-9-3-4-12(15)10-17/h5-8,12H,3-4,9-10,15H2,1-2H3/t12-/m1/s1
InChIKeyOZVNNPHFKUVZRQ-GFCCVEGCSA-N
XLogP1.32
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-aminopiperidin-1-yl)-[4-[methyl(propyl)amino]phenyl]methanone
CID 119381942
(3-chloropiperidin-1-yl)-[4-(dimethylamino)phenyl]methanone
CID 63393268
[3-(bromomethyl)piperidin-1-yl]-[4-(dimethylamino)phenyl]methanone
CID 80660500
(3-aminopiperidin-1-yl)-(4-tert-butylphenyl)methanone;hydrochloride
CID 75526663
[4-(dimethylamino)phenyl]-[(3S)-3-methylpyrrolidin-1-yl]methanone
CID 143704311
N-[4-(3-aminopiperidine-1-carbonyl)phenyl]-N,4-dimethylbenzenesulfonamide;hydrochloride
CID 119380856
4-(3-aminopiperidine-1-carbonyl)-N,N-diethylbenzamide;hydrochloride
CID 119380611
[4-(dimethylamino)phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261919
N-cyclopropyl-3-[(3S)-1-[4-(dimethylamino)benzoyl]piperidin-3-yl]propanamide
CID 26397692
(3-aminopiperidin-1-yl)-(4-phenylphenyl)methanone;hydrochloride
CID 119381362
(3-aminopiperidin-1-yl)-(3,4-dimethylphenyl)methanone;hydrochloride
CID 119381443
4-(3-aminopiperidine-1-carbonyl)-N,N-dipropylbenzenesulfonamide;hydrochloride
CID 119377266

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-aminopiperidin-1-yl]-[4-(dimethylamino)phenyl]methanone?
The IUPAC name of [(3R)-3-aminopiperidin-1-yl]-[4-(dimethylamino)phenyl]methanone (CID 102983493) is [(3R)-3-aminopiperidin-1-yl]-[4-(dimethylamino)phenyl]methanone.
What is the SMILES notation for [(3R)-3-aminopiperidin-1-yl]-[4-(dimethylamino)phenyl]methanone?
The canonical SMILES for [(3R)-3-aminopiperidin-1-yl]-[4-(dimethylamino)phenyl]methanone is CN(C)c1ccc(C(=O)N2CCC[C@@H](N)C2)cc1.
What is the InChIKey of [(3R)-3-aminopiperidin-1-yl]-[4-(dimethylamino)phenyl]methanone?
The InChIKey is OZVNNPHFKUVZRQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H21N3O/c1-16(2)13-7-5-11(6-8-13)14(18)17-9-3-4-12(15)10-17/h5-8,12H,3-4,9-10,15H2,1-2H3/t12-/m1/s1.
What are the key properties of [(3R)-3-aminopiperidin-1-yl]-[4-(dimethylamino)phenyl]methanone?
[(3R)-3-aminopiperidin-1-yl]-[4-(dimethylamino)phenyl]methanone has a molecular weight of 247.34 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-aminopiperidin-1-yl]-[4-(dimethylamino)phenyl]methanone is sourced from PubChem (CID 102983493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).