(4-amino-3,3-dimethylpiperidin-1-yl)-(4-methoxynaphthalen-1-yl)methanone

C19H24N2O2 — CID 120814465

IUPAC(4-amino-3,3-dimethylpiperidin-1-yl)-(4-methoxynaphthalen-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CCC(N)C(C)(C)C2)c2ccccc12
InChIInChI=1S/C19H24N2O2/c1-19(2)12-21(11-10-17(19)20)18(22)15-8-9-16(23-3)14-7-5-4-6-13(14)15/h4-9,17H,10-12,20H2,1-3H3
InChIKeyLOQXTBXAAGNSMJ-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.05
Rot. Bonds2

About (4-amino-3,3-dimethylpiperidin-1-yl)-(4-methoxynaphthalen-1-yl)methanone

(4-amino-3,3-dimethylpiperidin-1-yl)-(4-methoxynaphthalen-1-yl)methanone (PubChem CID 120814465) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is (4-amino-3,3-dimethylpiperidin-1-yl)-(4-methoxynaphthalen-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-3,3-dimethylpiperidin-1-yl)-(4-methoxynaphthalen-1-yl)methanone
PubChem CID120814465
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name(4-amino-3,3-dimethylpiperidin-1-yl)-(4-methoxynaphthalen-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CCC(N)C(C)(C)C2)c2ccccc12
InChIInChI=1S/C19H24N2O2/c1-19(2)12-21(11-10-17(19)20)18(22)15-8-9-16(23-3)14-7-5-4-6-13(14)15/h4-9,17H,10-12,20H2,1-3H3
InChIKeyLOQXTBXAAGNSMJ-UHFFFAOYSA-N
XLogP3.05
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-4-methoxybenzenesulfonamide
CID 120816046
(4-amino-3,3-dimethylpiperidin-1-yl)-[3-(2-methoxyphenyl)-1-methylpyrazol-4-yl]methanone;hydrochloride
CID 120814915
(4-methoxynaphthalen-1-yl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone
CID 119064875
(4-aminopiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone
CID 43635827
(4-amino-3,3-dimethylpiperidin-1-yl)-phenylmethanone;hydrochloride
CID 120815405
[4-(cyclopropylmethylamino)piperidin-1-yl]-(4-methoxynaphthalen-1-yl)methanone;hydrochloride
CID 119623313
(4-amino-3,3-dimethylpiperidin-1-yl)-(2-anilinophenyl)methanone;hydrochloride
CID 120815399
(4-amino-3,3-dimethylpiperidin-1-yl)-[1-(2-methoxyphenyl)cyclopropyl]methanone;hydrochloride
CID 120816573
4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1H-quinolin-2-one;hydrochloride
CID 120814628
(4-amino-3,3-dimethylpiperidin-1-yl)-(4,5-dimethoxy-2-nitrophenyl)methanone;hydrochloride
CID 120820362
(4-amino-3,3-dimethylpiperidin-1-yl)-(2-ethylsulfonylphenyl)methanone
CID 120818688
(4-amino-3,3-dimethylpiperidin-1-yl)-(3-methyl-1-benzofuran-2-yl)methanone
CID 120817018

Frequently Asked Questions

What is the IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-(4-methoxynaphthalen-1-yl)methanone?
The IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-(4-methoxynaphthalen-1-yl)methanone (CID 120814465) is (4-amino-3,3-dimethylpiperidin-1-yl)-(4-methoxynaphthalen-1-yl)methanone.
What is the SMILES notation for (4-amino-3,3-dimethylpiperidin-1-yl)-(4-methoxynaphthalen-1-yl)methanone?
The canonical SMILES for (4-amino-3,3-dimethylpiperidin-1-yl)-(4-methoxynaphthalen-1-yl)methanone is COc1ccc(C(=O)N2CCC(N)C(C)(C)C2)c2ccccc12.
What is the InChIKey of (4-amino-3,3-dimethylpiperidin-1-yl)-(4-methoxynaphthalen-1-yl)methanone?
The InChIKey is LOQXTBXAAGNSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-19(2)12-21(11-10-17(19)20)18(22)15-8-9-16(23-3)14-7-5-4-6-13(14)15/h4-9,17H,10-12,20H2,1-3H3.
What are the key properties of (4-amino-3,3-dimethylpiperidin-1-yl)-(4-methoxynaphthalen-1-yl)methanone?
(4-amino-3,3-dimethylpiperidin-1-yl)-(4-methoxynaphthalen-1-yl)methanone has a molecular weight of 312.41 g/mol, XLogP of 3.05, 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)-(4-methoxynaphthalen-1-yl)methanone is sourced from PubChem (CID 120814465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).