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

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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).