[3-(diethylaminomethyl)pyrrolidin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride

C16H33Cl2N3O2 — CID 119894888

IUPAC[3-(diethylaminomethyl)pyrrolidin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride
SMILESCCN(CC)CC1CCN(C(=O)C2(OC)CCNCC2)C1.Cl.Cl
InChIInChI=1S/C16H31N3O2.2ClH/c1-4-18(5-2)12-14-6-11-19(13-14)15(20)16(21-3)7-9-17-10-8-16;;/h14,17H,4-13H2,1-3H3;2*1H
InChIKeyIWKZDVYCUIKWFA-UHFFFAOYSA-N
MW370.37 g/mol
LogP1.79
Rot. Bonds6

About [3-(diethylaminomethyl)pyrrolidin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride

[3-(diethylaminomethyl)pyrrolidin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride (PubChem CID 119894888) has the molecular formula C16H33Cl2N3O2 and a molecular weight of 370.37 g/mol. Its IUPAC name is [3-(diethylaminomethyl)pyrrolidin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name[3-(diethylaminomethyl)pyrrolidin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride
PubChem CID119894888
Molecular FormulaC16H33Cl2N3O2
Molecular Weight370.37 g/mol
Exact Mass369.19
IUPAC Name[3-(diethylaminomethyl)pyrrolidin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride
SMILESCCN(CC)CC1CCN(C(=O)C2(OC)CCNCC2)C1.Cl.Cl
InChIInChI=1S/C16H31N3O2.2ClH/c1-4-18(5-2)12-14-6-11-19(13-14)15(20)16(21-3)7-9-17-10-8-16;;/h14,17H,4-13H2,1-3H3;2*1H
InChIKeyIWKZDVYCUIKWFA-UHFFFAOYSA-N
XLogP1.79
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride
CID 119896789
[4-[(dimethylamino)methyl]piperidin-1-yl]-(4-methoxypiperidin-4-yl)methanone
CID 119852056
[4-(diethylaminomethyl)piperidin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone;dihydrochloride
CID 120642749
(4-methoxypiperidin-4-yl)-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 119894734
(1-aminocyclopropyl)-[3-(diethylaminomethyl)pyrrolidin-1-yl]methanone
CID 119894837
(4-methoxypiperidin-4-yl)-(4-methylpiperidin-1-yl)methanone
CID 119675095
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-methoxypiperidin-4-yl)methanone;dihydrochloride
CID 119881544
N-(cyclopropylmethyl)-N-ethyl-4-methoxypiperidine-4-carboxamide
CID 119784643
(4-ethylpiperidin-4-yl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 64597488
N-[1-(4-methoxypiperidine-4-carbonyl)piperidin-3-yl]butanamide;hydrochloride
CID 119761710
(3,3-diethylpyrrolidin-1-yl)-(4-methoxypiperidin-4-yl)methanone;hydrochloride
CID 119782206
(4-methoxypiperidin-4-yl)-(4-propoxyazepan-1-yl)methanone
CID 119780028

Frequently Asked Questions

What is the IUPAC name of [3-(diethylaminomethyl)pyrrolidin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride?
The IUPAC name of [3-(diethylaminomethyl)pyrrolidin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride (CID 119894888) is [3-(diethylaminomethyl)pyrrolidin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride.
What is the SMILES notation for [3-(diethylaminomethyl)pyrrolidin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride?
The canonical SMILES for [3-(diethylaminomethyl)pyrrolidin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride is CCN(CC)CC1CCN(C(=O)C2(OC)CCNCC2)C1.Cl.Cl.
What is the InChIKey of [3-(diethylaminomethyl)pyrrolidin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride?
The InChIKey is IWKZDVYCUIKWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2.2ClH/c1-4-18(5-2)12-14-6-11-19(13-14)15(20)16(21-3)7-9-17-10-8-16;;/h14,17H,4-13H2,1-3H3;2*1H.
What are the key properties of [3-(diethylaminomethyl)pyrrolidin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride?
[3-(diethylaminomethyl)pyrrolidin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride has a molecular weight of 370.37 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(diethylaminomethyl)pyrrolidin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride is sourced from PubChem (CID 119894888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).