(3-methylpyrrolidin-3-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone;dihydrochloride

C15H29Cl2N3O — CID 119858272

IUPAC(3-methylpyrrolidin-3-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone;dihydrochloride
SMILESCC1(C(=O)N2CCCC(N3CCCC3)C2)CCNC1.Cl.Cl
InChIInChI=1S/C15H27N3O.2ClH/c1-15(6-7-16-12-15)14(19)18-10-4-5-13(11-18)17-8-2-3-9-17;;/h13,16H,2-12H2,1H3;2*1H
InChIKeyFLUXZQAUVWDITD-UHFFFAOYSA-N
MW338.32 g/mol
LogP1.92
Rot. Bonds2

About (3-methylpyrrolidin-3-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone;dihydrochloride

(3-methylpyrrolidin-3-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone;dihydrochloride (PubChem CID 119858272) has the molecular formula C15H29Cl2N3O and a molecular weight of 338.32 g/mol. Its IUPAC name is (3-methylpyrrolidin-3-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name(3-methylpyrrolidin-3-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone;dihydrochloride
PubChem CID119858272
Molecular FormulaC15H29Cl2N3O
Molecular Weight338.32 g/mol
Exact Mass337.17
IUPAC Name(3-methylpyrrolidin-3-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone;dihydrochloride
SMILESCC1(C(=O)N2CCCC(N3CCCC3)C2)CCNC1.Cl.Cl
InChIInChI=1S/C15H27N3O.2ClH/c1-15(6-7-16-12-15)14(19)18-10-4-5-13(11-18)17-8-2-3-9-17;;/h13,16H,2-12H2,1H3;2*1H
InChIKeyFLUXZQAUVWDITD-UHFFFAOYSA-N
XLogP1.92
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.32
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-cyclopentylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone;dihydrochloride
CID 119843049
(3R)-1-(3-methylpyrrolidine-3-carbonyl)piperidine-3-carboxylic acid
CID 81120931
(3-hydroxypiperidin-1-yl)-(3-methylpyrrolidin-3-yl)methanone
CID 63138941
azepan-1-yl-(3-methylpyrrolidin-3-yl)methanone;hydrochloride
CID 119669541
[3-(methoxymethyl)piperidin-1-yl]-(3-methylpyrrolidin-3-yl)methanone;hydrochloride
CID 119781751
azetidin-1-yl-(3-methylpyrrolidin-3-yl)methanone
CID 130547014
(3-methylpiperidin-3-yl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 63172091
1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl-(3-methylpyrrolidin-3-yl)methanone;hydrochloride
CID 119788100
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-methoxypiperidin-4-yl)methanone;dihydrochloride
CID 119881544
(4-cyclopentylpiperazin-1-yl)-(3-methylpiperidin-3-yl)methanone
CID 63133084
(4-cyclopropylpiperazin-1-yl)-(3-methylpiperidin-3-yl)methanone
CID 63131559
(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-(3-methylpyrrolidin-3-yl)methanone
CID 81200158

Frequently Asked Questions

What is the IUPAC name of (3-methylpyrrolidin-3-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone;dihydrochloride?
The IUPAC name of (3-methylpyrrolidin-3-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone;dihydrochloride (CID 119858272) is (3-methylpyrrolidin-3-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone;dihydrochloride.
What is the SMILES notation for (3-methylpyrrolidin-3-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone;dihydrochloride?
The canonical SMILES for (3-methylpyrrolidin-3-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone;dihydrochloride is CC1(C(=O)N2CCCC(N3CCCC3)C2)CCNC1.Cl.Cl.
What is the InChIKey of (3-methylpyrrolidin-3-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone;dihydrochloride?
The InChIKey is FLUXZQAUVWDITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O.2ClH/c1-15(6-7-16-12-15)14(19)18-10-4-5-13(11-18)17-8-2-3-9-17;;/h13,16H,2-12H2,1H3;2*1H.
What are the key properties of (3-methylpyrrolidin-3-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone;dihydrochloride?
(3-methylpyrrolidin-3-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone;dihydrochloride has a molecular weight of 338.32 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpyrrolidin-3-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone;dihydrochloride is sourced from PubChem (CID 119858272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).