3-amino-2-methyl-1-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one;dihydrochloride

C22H37Cl2N3O — CID 119867570

IUPAC3-amino-2-methyl-1-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one;dihydrochloride
SMILESCC1CCN(CC2CCCN(C(=O)C(C)C(N)c3ccccc3)C2)CC1.Cl.Cl
InChIInChI=1S/C22H35N3O.2ClH/c1-17-10-13-24(14-11-17)15-19-7-6-12-25(16-19)22(26)18(2)21(23)20-8-4-3-5-9-20;;/h3-5,8-9,17-19,21H,6-7,10-16,23H2,1-2H3;2*1H
InChIKeyJCCRBSQPDCLZGF-UHFFFAOYSA-N
MW430.46 g/mol
LogP4.14
Rot. Bonds5

About 3-amino-2-methyl-1-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one;dihydrochloride

3-amino-2-methyl-1-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one;dihydrochloride (PubChem CID 119867570) has the molecular formula C22H37Cl2N3O and a molecular weight of 430.46 g/mol. Its IUPAC name is 3-amino-2-methyl-1-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one;dihydrochloride.

Molecular Properties

Compound Name3-amino-2-methyl-1-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one;dihydrochloride
PubChem CID119867570
Molecular FormulaC22H37Cl2N3O
Molecular Weight430.46 g/mol
Exact Mass429.23
IUPAC Name3-amino-2-methyl-1-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one;dihydrochloride
SMILESCC1CCN(CC2CCCN(C(=O)C(C)C(N)c3ccccc3)C2)CC1.Cl.Cl
InChIInChI=1S/C22H35N3O.2ClH/c1-17-10-13-24(14-11-17)15-19-7-6-12-25(16-19)22(26)18(2)21(23)20-8-4-3-5-9-20;;/h3-5,8-9,17-19,21H,6-7,10-16,23H2,1-2H3;2*1H
InChIKeyJCCRBSQPDCLZGF-UHFFFAOYSA-N
XLogP4.14
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-amino-2-methyl-1-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one;dihydrochloride with MolForge

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Related Compounds

3-amino-1-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one
CID 119953477
3-[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-3-yl]propanamide;hydrochloride
CID 119758309
3-amino-2-methyl-1-[3-(methylaminomethyl)piperidin-1-yl]-3-phenylpropan-1-one
CID 122080186
3-amino-1-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-2-methyl-3-phenylpropan-1-one
CID 119859689
3-amino-2-methyl-3-phenyl-1-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-1-one
CID 119883750
3-amino-1-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-2-methyl-3-phenylpropan-1-one
CID 119880836
N-[[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 119761567
N-[[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-3-yl]methyl]butanamide;hydrochloride
CID 119761640
(2S)-2-amino-4-methyl-1-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]pentan-1-one;dihydrochloride
CID 119867618
3-amino-1-(3-benzylpyrrolidin-1-yl)-2-methyl-3-phenylpropan-1-one
CID 119725030
2-amino-2-phenyl-1-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone;dihydrochloride
CID 119892520
2-amino-1-[3-(2-methylpropyl)piperidin-1-yl]-2-phenylethanone
CID 119337376

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-1-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one;dihydrochloride?
The IUPAC name of 3-amino-2-methyl-1-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one;dihydrochloride (CID 119867570) is 3-amino-2-methyl-1-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one;dihydrochloride.
What is the SMILES notation for 3-amino-2-methyl-1-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one;dihydrochloride?
The canonical SMILES for 3-amino-2-methyl-1-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one;dihydrochloride is CC1CCN(CC2CCCN(C(=O)C(C)C(N)c3ccccc3)C2)CC1.Cl.Cl.
What is the InChIKey of 3-amino-2-methyl-1-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one;dihydrochloride?
The InChIKey is JCCRBSQPDCLZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O.2ClH/c1-17-10-13-24(14-11-17)15-19-7-6-12-25(16-19)22(26)18(2)21(23)20-8-4-3-5-9-20;;/h3-5,8-9,17-19,21H,6-7,10-16,23H2,1-2H3;2*1H.
What are the key properties of 3-amino-2-methyl-1-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one;dihydrochloride?
3-amino-2-methyl-1-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one;dihydrochloride has a molecular weight of 430.46 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-1-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one;dihydrochloride is sourced from PubChem (CID 119867570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).