3-amino-2-methyl-1-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butan-1-one;dihydrochloride

C15H31Cl2N3O — CID 120503245

IUPAC3-amino-2-methyl-1-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butan-1-one;dihydrochloride
SMILESCC(N)C(C)C(=O)N1CCCC1CN1CCCCC1.Cl.Cl
InChIInChI=1S/C15H29N3O.2ClH/c1-12(13(2)16)15(19)18-10-6-7-14(18)11-17-8-4-3-5-9-17;;/h12-14H,3-11,16H2,1-2H3;2*1H
InChIKeyPWHZLMFWQUDSTQ-UHFFFAOYSA-N
MW340.34 g/mol
LogP2.29
Rot. Bonds4

About 3-amino-2-methyl-1-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butan-1-one;dihydrochloride

3-amino-2-methyl-1-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butan-1-one;dihydrochloride (PubChem CID 120503245) has the molecular formula C15H31Cl2N3O and a molecular weight of 340.34 g/mol. Its IUPAC name is 3-amino-2-methyl-1-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butan-1-one;dihydrochloride.

Molecular Properties

Compound Name3-amino-2-methyl-1-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butan-1-one;dihydrochloride
PubChem CID120503245
Molecular FormulaC15H31Cl2N3O
Molecular Weight340.34 g/mol
Exact Mass339.18
IUPAC Name3-amino-2-methyl-1-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butan-1-one;dihydrochloride
SMILESCC(N)C(C)C(=O)N1CCCC1CN1CCCCC1.Cl.Cl
InChIInChI=1S/C15H29N3O.2ClH/c1-12(13(2)16)15(19)18-10-6-7-14(18)11-17-8-4-3-5-9-17;;/h12-14H,3-11,16H2,1-2H3;2*1H
InChIKeyPWHZLMFWQUDSTQ-UHFFFAOYSA-N
XLogP2.29
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-amino-2-methyl-1-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butan-1-one;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-2-methyl-1-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butan-1-one
CID 120503246
3-amino-2-methyl-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one;dihydrochloride
CID 120503674
2-methyl-1-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 58333477
ethane;2-methyl-1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 143767685
3-amino-2-methyl-1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]butan-1-one;dihydrochloride
CID 120504283
3-amino-2-methyl-1-[2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119860004
1-[2-(aminomethyl)piperidin-1-yl]-2,3-dimethylbutan-1-one;hydrochloride
CID 119466546
3-amino-1-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 83620444
3-amino-1-[4-(cyclohexylmethyl)piperazin-1-yl]-2-methylbutan-1-one;dihydrochloride
CID 120502799
3-amino-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one;dihydrochloride
CID 119875389
(2R)-2-amino-1-[2-(hydroxymethyl)azepan-1-yl]-3-methylbutan-1-one
CID 104891495
2-methyl-3-(methylamino)-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one;dihydrochloride
CID 119875378

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-1-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butan-1-one;dihydrochloride?
The IUPAC name of 3-amino-2-methyl-1-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butan-1-one;dihydrochloride (CID 120503245) is 3-amino-2-methyl-1-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butan-1-one;dihydrochloride.
What is the SMILES notation for 3-amino-2-methyl-1-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butan-1-one;dihydrochloride?
The canonical SMILES for 3-amino-2-methyl-1-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butan-1-one;dihydrochloride is CC(N)C(C)C(=O)N1CCCC1CN1CCCCC1.Cl.Cl.
What is the InChIKey of 3-amino-2-methyl-1-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butan-1-one;dihydrochloride?
The InChIKey is PWHZLMFWQUDSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O.2ClH/c1-12(13(2)16)15(19)18-10-6-7-14(18)11-17-8-4-3-5-9-17;;/h12-14H,3-11,16H2,1-2H3;2*1H.
What are the key properties of 3-amino-2-methyl-1-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butan-1-one;dihydrochloride?
3-amino-2-methyl-1-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butan-1-one;dihydrochloride has a molecular weight of 340.34 g/mol, XLogP of 2.29, 4 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-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butan-1-one;dihydrochloride is sourced from PubChem (CID 120503245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).