(3,3-diethylpyrrolidin-1-yl)-(4-methoxypiperidin-4-yl)methanone;hydrochloride

C15H29ClN2O2 — CID 119782206

IUPAC(3,3-diethylpyrrolidin-1-yl)-(4-methoxypiperidin-4-yl)methanone;hydrochloride
SMILESCCC1(CC)CCN(C(=O)C2(OC)CCNCC2)C1.Cl
InChIInChI=1S/C15H28N2O2.ClH/c1-4-14(5-2)8-11-17(12-14)13(18)15(19-3)6-9-16-10-7-15;/h16H,4-12H2,1-3H3;1H
InChIKeyNFQGUJZMIQTNSG-UHFFFAOYSA-N
MW304.86 g/mol
LogP2.22
Rot. Bonds4

About (3,3-diethylpyrrolidin-1-yl)-(4-methoxypiperidin-4-yl)methanone;hydrochloride

(3,3-diethylpyrrolidin-1-yl)-(4-methoxypiperidin-4-yl)methanone;hydrochloride (PubChem CID 119782206) has the molecular formula C15H29ClN2O2 and a molecular weight of 304.86 g/mol. Its IUPAC name is (3,3-diethylpyrrolidin-1-yl)-(4-methoxypiperidin-4-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(3,3-diethylpyrrolidin-1-yl)-(4-methoxypiperidin-4-yl)methanone;hydrochloride
PubChem CID119782206
Molecular FormulaC15H29ClN2O2
Molecular Weight304.86 g/mol
Exact Mass304.19
IUPAC Name(3,3-diethylpyrrolidin-1-yl)-(4-methoxypiperidin-4-yl)methanone;hydrochloride
SMILESCCC1(CC)CCN(C(=O)C2(OC)CCNCC2)C1.Cl
InChIInChI=1S/C15H28N2O2.ClH/c1-4-14(5-2)8-11-17(12-14)13(18)15(19-3)6-9-16-10-7-15;/h16H,4-12H2,1-3H3;1H
InChIKeyNFQGUJZMIQTNSG-UHFFFAOYSA-N
XLogP2.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.86
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

azepan-1-yl-(4-methoxypiperidin-4-yl)methanone
CID 84702052
(4,4-dimethylazepan-1-yl)-(4-methoxypiperidin-4-yl)methanone;hydrochloride
CID 119803723
(4-benzyl-3,3-dimethylpiperazin-1-yl)-(4-methoxypiperidin-4-yl)methanone;dihydrochloride
CID 119878673
1,4-diazepan-1-yl-(4-methoxypiperidin-4-yl)methanone
CID 113265250
(4-methoxypiperidin-4-yl)-(4-methylpiperidin-1-yl)methanone
CID 119675095
(4-methoxypiperidin-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone;dihydrochloride
CID 119838363
[4-[(dimethylamino)methyl]piperidin-1-yl]-(4-methoxypiperidin-4-yl)methanone
CID 119852056
[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride
CID 119899792
[3-(diethylaminomethyl)pyrrolidin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride
CID 119894888
(3,3-diethylpyrrolidin-1-yl)-(2-ethylpyrrolidin-2-yl)methanone
CID 83073569
methyl 2-(3,3-diethylpyrrolidin-1-yl)-2-oxoacetate
CID 112617445
[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride
CID 119859716

Frequently Asked Questions

What is the IUPAC name of (3,3-diethylpyrrolidin-1-yl)-(4-methoxypiperidin-4-yl)methanone;hydrochloride?
The IUPAC name of (3,3-diethylpyrrolidin-1-yl)-(4-methoxypiperidin-4-yl)methanone;hydrochloride (CID 119782206) is (3,3-diethylpyrrolidin-1-yl)-(4-methoxypiperidin-4-yl)methanone;hydrochloride.
What is the SMILES notation for (3,3-diethylpyrrolidin-1-yl)-(4-methoxypiperidin-4-yl)methanone;hydrochloride?
The canonical SMILES for (3,3-diethylpyrrolidin-1-yl)-(4-methoxypiperidin-4-yl)methanone;hydrochloride is CCC1(CC)CCN(C(=O)C2(OC)CCNCC2)C1.Cl.
What is the InChIKey of (3,3-diethylpyrrolidin-1-yl)-(4-methoxypiperidin-4-yl)methanone;hydrochloride?
The InChIKey is NFQGUJZMIQTNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2.ClH/c1-4-14(5-2)8-11-17(12-14)13(18)15(19-3)6-9-16-10-7-15;/h16H,4-12H2,1-3H3;1H.
What are the key properties of (3,3-diethylpyrrolidin-1-yl)-(4-methoxypiperidin-4-yl)methanone;hydrochloride?
(3,3-diethylpyrrolidin-1-yl)-(4-methoxypiperidin-4-yl)methanone;hydrochloride has a molecular weight of 304.86 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-diethylpyrrolidin-1-yl)-(4-methoxypiperidin-4-yl)methanone;hydrochloride is sourced from PubChem (CID 119782206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).