(4-amino-3,3-dimethylpiperidin-1-yl)-(5-chloro-2-pyridinyl)methanone

C13H18ClN3O — CID 120818056

IUPAC(4-amino-3,3-dimethylpiperidin-1-yl)-(5-chloro-2-pyridinyl)methanone
SMILESCC1(C)CN(C(=O)c2ccc(Cl)cn2)CCC1N
InChIInChI=1S/C13H18ClN3O/c1-13(2)8-17(6-5-11(13)15)12(18)10-4-3-9(14)7-16-10/h3-4,7,11H,5-6,8,15H2,1-2H3
InChIKeyOIVDITOXUICCBN-UHFFFAOYSA-N
MW267.76 g/mol
LogP1.93
Rot. Bonds1

About (4-amino-3,3-dimethylpiperidin-1-yl)-(5-chloro-2-pyridinyl)methanone

(4-amino-3,3-dimethylpiperidin-1-yl)-(5-chloro-2-pyridinyl)methanone (PubChem CID 120818056) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is (4-amino-3,3-dimethylpiperidin-1-yl)-(5-chloro-2-pyridinyl)methanone.

Molecular Properties

Compound Name(4-amino-3,3-dimethylpiperidin-1-yl)-(5-chloro-2-pyridinyl)methanone
PubChem CID120818056
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name(4-amino-3,3-dimethylpiperidin-1-yl)-(5-chloro-2-pyridinyl)methanone
SMILESCC1(C)CN(C(=O)c2ccc(Cl)cn2)CCC1N
InChIInChI=1S/C13H18ClN3O/c1-13(2)8-17(6-5-11(13)15)12(18)10-4-3-9(14)7-16-10/h3-4,7,11H,5-6,8,15H2,1-2H3
InChIKeyOIVDITOXUICCBN-UHFFFAOYSA-N
XLogP1.93
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-amino-3,3-dimethylpiperidin-1-yl)-(5-bromo-2-pyridinyl)methanone
CID 120816364
(4-amino-3,3-dimethylpiperidin-1-yl)-(2,4-dichlorophenyl)methanone
CID 120817946
(5-chloro-2-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103727395
1-(5-chloropyridine-2-carbonyl)-N'-hydroxypiperidine-4-carboximidamide
CID 77038922
3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1H-pyridazin-6-one
CID 114267658
(4-amino-3,3-dimethylpiperidin-1-yl)-[5-(4-chlorophenyl)-3-pyridinyl]methanone
CID 120818883
(4-amino-3,3-dimethylpiperidin-1-yl)-(3,5-dichlorophenyl)methanone;hydrochloride
CID 120816240
3-amino-1-(5-chloropyridine-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 107322971
(4-amino-3,3-dimethylpiperidin-1-yl)-[1-(3-chlorophenyl)pyrazol-3-yl]methanone;hydrochloride
CID 120820060
(5-chloro-2-pyridinyl)-[(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]methanone
CID 155507299
1-(5-chloropyridine-2-carbonyl)-4-methylpiperidine-4-carbothioamide
CID 107160880
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-chlorothiophen-2-yl)methanone
CID 114267652

Frequently Asked Questions

What is the IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-(5-chloro-2-pyridinyl)methanone?
The IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-(5-chloro-2-pyridinyl)methanone (CID 120818056) is (4-amino-3,3-dimethylpiperidin-1-yl)-(5-chloro-2-pyridinyl)methanone.
What is the SMILES notation for (4-amino-3,3-dimethylpiperidin-1-yl)-(5-chloro-2-pyridinyl)methanone?
The canonical SMILES for (4-amino-3,3-dimethylpiperidin-1-yl)-(5-chloro-2-pyridinyl)methanone is CC1(C)CN(C(=O)c2ccc(Cl)cn2)CCC1N.
What is the InChIKey of (4-amino-3,3-dimethylpiperidin-1-yl)-(5-chloro-2-pyridinyl)methanone?
The InChIKey is OIVDITOXUICCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c1-13(2)8-17(6-5-11(13)15)12(18)10-4-3-9(14)7-16-10/h3-4,7,11H,5-6,8,15H2,1-2H3.
What are the key properties of (4-amino-3,3-dimethylpiperidin-1-yl)-(5-chloro-2-pyridinyl)methanone?
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-chloro-2-pyridinyl)methanone has a molecular weight of 267.76 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3,3-dimethylpiperidin-1-yl)-(5-chloro-2-pyridinyl)methanone is sourced from PubChem (CID 120818056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).