(3-aminopiperidin-1-yl)-[6-(N-methylanilino)-3-pyridinyl]methanone;dihydrochloride

C18H24Cl2N4O — CID 119381632

IUPAC(3-aminopiperidin-1-yl)-[6-(N-methylanilino)-3-pyridinyl]methanone;dihydrochloride
SMILESCN(c1ccccc1)c1ccc(C(=O)N2CCCC(N)C2)cn1.Cl.Cl
InChIInChI=1S/C18H22N4O.2ClH/c1-21(16-7-3-2-4-8-16)17-10-9-14(12-20-17)18(23)22-11-5-6-15(19)13-22;;/h2-4,7-10,12,15H,5-6,11,13,19H2,1H3;2*1H
InChIKeyMNFMFYIOCGDJCN-UHFFFAOYSA-N
MW383.32 g/mol
LogP3.26
Rot. Bonds3

About (3-aminopiperidin-1-yl)-[6-(N-methylanilino)-3-pyridinyl]methanone;dihydrochloride

(3-aminopiperidin-1-yl)-[6-(N-methylanilino)-3-pyridinyl]methanone;dihydrochloride (PubChem CID 119381632) has the molecular formula C18H24Cl2N4O and a molecular weight of 383.32 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-[6-(N-methylanilino)-3-pyridinyl]methanone;dihydrochloride.

Molecular Properties

Compound Name(3-aminopiperidin-1-yl)-[6-(N-methylanilino)-3-pyridinyl]methanone;dihydrochloride
PubChem CID119381632
Molecular FormulaC18H24Cl2N4O
Molecular Weight383.32 g/mol
Exact Mass382.13
IUPAC Name(3-aminopiperidin-1-yl)-[6-(N-methylanilino)-3-pyridinyl]methanone;dihydrochloride
SMILESCN(c1ccccc1)c1ccc(C(=O)N2CCCC(N)C2)cn1.Cl.Cl
InChIInChI=1S/C18H22N4O.2ClH/c1-21(16-7-3-2-4-8-16)17-10-9-14(12-20-17)18(23)22-11-5-6-15(19)13-22;;/h2-4,7-10,12,15H,5-6,11,13,19H2,1H3;2*1H
InChIKeyMNFMFYIOCGDJCN-UHFFFAOYSA-N
XLogP3.26
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.32
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-aminopiperidin-1-yl)-[6-(N-methylanilino)-3-pyridinyl]methanone;dihydrochloride with MolForge

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Related Compounds

[4-(cyclopropylmethylamino)piperidin-1-yl]-[6-(N-methylanilino)-3-pyridinyl]methanone;dihydrochloride
CID 119625279
[(3S)-3-aminopiperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 129493895
[3-[[6-(N-methylanilino)pyridazin-3-yl]methyl]piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone
CID 110150821
[(3R)-3-aminopiperidin-1-yl]-[4-(dimethylamino)phenyl]methanone
CID 102983493
(3-aminopiperidin-1-yl)-(4-phenylphenyl)methanone;hydrochloride
CID 119381362
(3-aminopiperidin-1-yl)-(6-pyrrolidin-1-yl-3-pyridinyl)methanone;dihydrochloride
CID 119378111
6-(N-methylanilino)pyridine-3-carboxylic acid
CID 16778360
(3S)-1-[6-(dimethylamino)pyridine-3-carbonyl]piperidine-3-carboxylic acid
CID 81120843
(3-aminopiperidin-1-yl)-(6-methylsulfonyl-3-pyridinyl)methanone
CID 123523269
[2-(1-aminoethyl)piperidin-1-yl]-[6-(N-methylanilino)-3-pyridinyl]methanone
CID 119437588
(3-aminopiperidin-1-yl)-(4-phenoxyphenyl)methanone
CID 119377677
(3-aminopiperidin-1-yl)-[6-(azepan-1-yl)-3-pyridinyl]methanone
CID 119378158

Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-[6-(N-methylanilino)-3-pyridinyl]methanone;dihydrochloride?
The IUPAC name of (3-aminopiperidin-1-yl)-[6-(N-methylanilino)-3-pyridinyl]methanone;dihydrochloride (CID 119381632) is (3-aminopiperidin-1-yl)-[6-(N-methylanilino)-3-pyridinyl]methanone;dihydrochloride.
What is the SMILES notation for (3-aminopiperidin-1-yl)-[6-(N-methylanilino)-3-pyridinyl]methanone;dihydrochloride?
The canonical SMILES for (3-aminopiperidin-1-yl)-[6-(N-methylanilino)-3-pyridinyl]methanone;dihydrochloride is CN(c1ccccc1)c1ccc(C(=O)N2CCCC(N)C2)cn1.Cl.Cl.
What is the InChIKey of (3-aminopiperidin-1-yl)-[6-(N-methylanilino)-3-pyridinyl]methanone;dihydrochloride?
The InChIKey is MNFMFYIOCGDJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O.2ClH/c1-21(16-7-3-2-4-8-16)17-10-9-14(12-20-17)18(23)22-11-5-6-15(19)13-22;;/h2-4,7-10,12,15H,5-6,11,13,19H2,1H3;2*1H.
What are the key properties of (3-aminopiperidin-1-yl)-[6-(N-methylanilino)-3-pyridinyl]methanone;dihydrochloride?
(3-aminopiperidin-1-yl)-[6-(N-methylanilino)-3-pyridinyl]methanone;dihydrochloride has a molecular weight of 383.32 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopiperidin-1-yl)-[6-(N-methylanilino)-3-pyridinyl]methanone;dihydrochloride is sourced from PubChem (CID 119381632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).