3-amino-2-methyl-1-[2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one;dihydrochloride

C19H31Cl2N3O2 — CID 119860004

IUPAC3-amino-2-methyl-1-[2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one;dihydrochloride
SMILESCC(C(=O)N1CCCC1CN1CCOCC1)C(N)c1ccccc1.Cl.Cl
InChIInChI=1S/C19H29N3O2.2ClH/c1-15(18(20)16-6-3-2-4-7-16)19(23)22-9-5-8-17(22)14-21-10-12-24-13-11-21;;/h2-4,6-7,15,17-18H,5,8-14,20H2,1H3;2*1H
InChIKeySYELZCRCWFFTSR-UHFFFAOYSA-N
MW404.38 g/mol
LogP2.49
Rot. Bonds5

About 3-amino-2-methyl-1-[2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one;dihydrochloride

3-amino-2-methyl-1-[2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one;dihydrochloride (PubChem CID 119860004) has the molecular formula C19H31Cl2N3O2 and a molecular weight of 404.38 g/mol. Its IUPAC name is 3-amino-2-methyl-1-[2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one;dihydrochloride.

Molecular Properties

Compound Name3-amino-2-methyl-1-[2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one;dihydrochloride
PubChem CID119860004
Molecular FormulaC19H31Cl2N3O2
Molecular Weight404.38 g/mol
Exact Mass403.18
IUPAC Name3-amino-2-methyl-1-[2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one;dihydrochloride
SMILESCC(C(=O)N1CCCC1CN1CCOCC1)C(N)c1ccccc1.Cl.Cl
InChIInChI=1S/C19H29N3O2.2ClH/c1-15(18(20)16-6-3-2-4-7-16)19(23)22-9-5-8-17(22)14-21-10-12-24-13-11-21;;/h2-4,6-7,15,17-18H,5,8-14,20H2,1H3;2*1H
InChIKeySYELZCRCWFFTSR-UHFFFAOYSA-N
XLogP2.49
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.38
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-amino-2-methyl-1-[2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-3-phenylpropan-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-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methyl-3-phenylpropan-1-one
CID 107217984
2-[1-(3-amino-2-methyl-3-phenylpropanoyl)pyrrolidin-2-yl]acetic acid
CID 80549892
3-amino-2-methyl-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one;dihydrochloride
CID 120503674
3-amino-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-methyl-3-phenylpropan-1-one
CID 80551170
3-amino-2-methyl-1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 119897763
1-(3-amino-2-methyl-3-phenylpropanoyl)pyrrolidine-2-carboxylic acid
CID 80552235
(2R)-1-[(2R)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-thiophen-2-ylpropan-1-one
CID 96567260
3-amino-2-methyl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 119840042
3-amino-2-methyl-1-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butan-1-one;dihydrochloride
CID 120503245
1-(3-amino-2-methyl-3-phenylpropanoyl)piperidine-2-carboxamide;hydrochloride
CID 119685223
2-methyl-3-(methylamino)-1-[2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 119860015
3-amino-2-methyl-1-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 119897518

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-1-[2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one;dihydrochloride?
The IUPAC name of 3-amino-2-methyl-1-[2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one;dihydrochloride (CID 119860004) is 3-amino-2-methyl-1-[2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one;dihydrochloride.
What is the SMILES notation for 3-amino-2-methyl-1-[2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one;dihydrochloride?
The canonical SMILES for 3-amino-2-methyl-1-[2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one;dihydrochloride is CC(C(=O)N1CCCC1CN1CCOCC1)C(N)c1ccccc1.Cl.Cl.
What is the InChIKey of 3-amino-2-methyl-1-[2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one;dihydrochloride?
The InChIKey is SYELZCRCWFFTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2.2ClH/c1-15(18(20)16-6-3-2-4-7-16)19(23)22-9-5-8-17(22)14-21-10-12-24-13-11-21;;/h2-4,6-7,15,17-18H,5,8-14,20H2,1H3;2*1H.
What are the key properties of 3-amino-2-methyl-1-[2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one;dihydrochloride?
3-amino-2-methyl-1-[2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one;dihydrochloride has a molecular weight of 404.38 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-1-[2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one;dihydrochloride is sourced from PubChem (CID 119860004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).