(4-amino-3,3-dimethylpiperidin-1-yl)-[5-(4-chlorophenyl)-3-pyridinyl]methanone

C19H22ClN3O — CID 120818883

IUPAC(4-amino-3,3-dimethylpiperidin-1-yl)-[5-(4-chlorophenyl)-3-pyridinyl]methanone
SMILESCC1(C)CN(C(=O)c2cncc(-c3ccc(Cl)cc3)c2)CCC1N
InChIInChI=1S/C19H22ClN3O/c1-19(2)12-23(8-7-17(19)21)18(24)15-9-14(10-22-11-15)13-3-5-16(20)6-4-13/h3-6,9-11,17H,7-8,12,21H2,1-2H3
InChIKeyMQZXGCWTZWLOQI-UHFFFAOYSA-N
MW343.86 g/mol
LogP3.60
Rot. Bonds2

About (4-amino-3,3-dimethylpiperidin-1-yl)-[5-(4-chlorophenyl)-3-pyridinyl]methanone

(4-amino-3,3-dimethylpiperidin-1-yl)-[5-(4-chlorophenyl)-3-pyridinyl]methanone (PubChem CID 120818883) has the molecular formula C19H22ClN3O and a molecular weight of 343.86 g/mol. Its IUPAC name is (4-amino-3,3-dimethylpiperidin-1-yl)-[5-(4-chlorophenyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(4-amino-3,3-dimethylpiperidin-1-yl)-[5-(4-chlorophenyl)-3-pyridinyl]methanone
PubChem CID120818883
Molecular FormulaC19H22ClN3O
Molecular Weight343.86 g/mol
Exact Mass343.15
IUPAC Name(4-amino-3,3-dimethylpiperidin-1-yl)-[5-(4-chlorophenyl)-3-pyridinyl]methanone
SMILESCC1(C)CN(C(=O)c2cncc(-c3ccc(Cl)cc3)c2)CCC1N
InChIInChI=1S/C19H22ClN3O/c1-19(2)12-23(8-7-17(19)21)18(24)15-9-14(10-22-11-15)13-3-5-16(20)6-4-13/h3-6,9-11,17H,7-8,12,21H2,1-2H3
InChIKeyMQZXGCWTZWLOQI-UHFFFAOYSA-N
XLogP3.60
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-amino-3,3-dimethylpiperidin-1-yl)-(5-phenyl-3-pyridinyl)methanone
CID 120818980
[5-(4-chlorophenyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 42845797
(4-amino-3,3-dimethylpiperidin-1-yl)-(3,5-dichlorophenyl)methanone;hydrochloride
CID 120816240
[5-(4-chlorophenyl)-3-pyridinyl]-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 126788593
(4-amino-3,3-dimethylpiperidin-1-yl)-(2,4-dichlorophenyl)methanone
CID 120817946
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-chloro-2-pyridinyl)methanone
CID 120818056
[4-(3-aminopropoxy)piperidin-1-yl]-[5-(4-chlorophenyl)-3-pyridinyl]methanone
CID 119663953
[5-(4-chlorophenyl)-3-pyridinyl]-[(2R)-2-methylmorpholin-4-yl]methanone
CID 136582281
(4-amino-3,3-dimethylpiperidin-1-yl)-(3,4-difluorophenyl)methanone;hydrochloride
CID 120814455
4-[5-(4-chlorophenyl)pyridine-3-carbonyl]-6-methylpiperazin-2-one
CID 146147832
(4-amino-3,3-dimethylpiperidin-1-yl)-(1-methylpyrazol-4-yl)methanone;hydrochloride
CID 120816214
1-[5-(4-chlorophenyl)pyridine-3-carbonyl]pyrrolidine-2-carboxamide
CID 126785640

Frequently Asked Questions

What is the IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-[5-(4-chlorophenyl)-3-pyridinyl]methanone?
The IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-[5-(4-chlorophenyl)-3-pyridinyl]methanone (CID 120818883) is (4-amino-3,3-dimethylpiperidin-1-yl)-[5-(4-chlorophenyl)-3-pyridinyl]methanone.
What is the SMILES notation for (4-amino-3,3-dimethylpiperidin-1-yl)-[5-(4-chlorophenyl)-3-pyridinyl]methanone?
The canonical SMILES for (4-amino-3,3-dimethylpiperidin-1-yl)-[5-(4-chlorophenyl)-3-pyridinyl]methanone is CC1(C)CN(C(=O)c2cncc(-c3ccc(Cl)cc3)c2)CCC1N.
What is the InChIKey of (4-amino-3,3-dimethylpiperidin-1-yl)-[5-(4-chlorophenyl)-3-pyridinyl]methanone?
The InChIKey is MQZXGCWTZWLOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O/c1-19(2)12-23(8-7-17(19)21)18(24)15-9-14(10-22-11-15)13-3-5-16(20)6-4-13/h3-6,9-11,17H,7-8,12,21H2,1-2H3.
What are the key properties of (4-amino-3,3-dimethylpiperidin-1-yl)-[5-(4-chlorophenyl)-3-pyridinyl]methanone?
(4-amino-3,3-dimethylpiperidin-1-yl)-[5-(4-chlorophenyl)-3-pyridinyl]methanone has a molecular weight of 343.86 g/mol, XLogP of 3.60, 2 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-(4-chlorophenyl)-3-pyridinyl]methanone is sourced from PubChem (CID 120818883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).