1-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride

C16H31Cl2N3O2 — CID 119861929

IUPAC1-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride
SMILESCC1CN(C2CCN(C(=O)CC3CCCN3)CC2)CCO1.Cl.Cl
InChIInChI=1S/C16H29N3O2.2ClH/c1-13-12-19(9-10-21-13)15-4-7-18(8-5-15)16(20)11-14-3-2-6-17-14;;/h13-15,17H,2-12H2,1H3;2*1H
InChIKeyINJCGLPVJHFYAH-UHFFFAOYSA-N
MW368.35 g/mol
LogP1.68
Rot. Bonds3

About 1-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride

1-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride (PubChem CID 119861929) has the molecular formula C16H31Cl2N3O2 and a molecular weight of 368.35 g/mol. Its IUPAC name is 1-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride.

Molecular Properties

Compound Name1-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride
PubChem CID119861929
Molecular FormulaC16H31Cl2N3O2
Molecular Weight368.35 g/mol
Exact Mass367.18
IUPAC Name1-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride
SMILESCC1CN(C2CCN(C(=O)CC3CCCN3)CC2)CCO1.Cl.Cl
InChIInChI=1S/C16H29N3O2.2ClH/c1-13-12-19(9-10-21-13)15-4-7-18(8-5-15)16(20)11-14-3-2-6-17-14;;/h13-15,17H,2-12H2,1H3;2*1H
InChIKeyINJCGLPVJHFYAH-UHFFFAOYSA-N
XLogP1.68
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.35
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylmorpholin-4-yl)-2-pyrrolidin-2-ylethanone;hydrochloride
CID 119698735
1-(2-methyl-1,4-oxazepan-4-yl)-2-pyrrolidin-2-ylethanone;hydrochloride
CID 119771971
1-(2-methyl-1,4-oxazepan-4-yl)-2-piperidin-2-ylethanone
CID 62972970
1-(4-cyclobutylpiperazin-1-yl)-2-pyrrolidin-2-ylethanone;dihydrochloride
CID 119887210
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyrrolidin-2-ylethanone
CID 104958689
3-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120982532
1-(azocan-1-yl)-2-pyrrolidin-2-ylethanone
CID 61372180
1-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-pyrrolidin-2-ylethanone;hydrochloride
CID 119738163
1-(3-methylpyrrolidin-1-yl)-2-piperidin-2-ylethanone
CID 61226626
2-pyrrolidin-2-yl-1-thiomorpholin-4-ylethanone;hydrochloride
CID 119705182
1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-pyrrolidin-2-ylethanone
CID 119733147
1-(4-ethenylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride
CID 119783256

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride?
The IUPAC name of 1-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride (CID 119861929) is 1-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride.
What is the SMILES notation for 1-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride?
The canonical SMILES for 1-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride is CC1CN(C2CCN(C(=O)CC3CCCN3)CC2)CCO1.Cl.Cl.
What is the InChIKey of 1-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride?
The InChIKey is INJCGLPVJHFYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2.2ClH/c1-13-12-19(9-10-21-13)15-4-7-18(8-5-15)16(20)11-14-3-2-6-17-14;;/h13-15,17H,2-12H2,1H3;2*1H.
What are the key properties of 1-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride?
1-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride has a molecular weight of 368.35 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride is sourced from PubChem (CID 119861929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).