(3-piperidin-1-ylpyrrolidin-1-yl)-pyrrolidin-3-ylmethanone;dihydrochloride

C14H27Cl2N3O — CID 119877849

IUPAC(3-piperidin-1-ylpyrrolidin-1-yl)-pyrrolidin-3-ylmethanone;dihydrochloride
SMILESCl.Cl.O=C(C1CCNC1)N1CCC(N2CCCCC2)C1
InChIInChI=1S/C14H25N3O.2ClH/c18-14(12-4-6-15-10-12)17-9-5-13(11-17)16-7-2-1-3-8-16;;/h12-13,15H,1-11H2;2*1H
InChIKeyOGLYDTWHRXPWCD-UHFFFAOYSA-N
MW324.30 g/mol
LogP1.53
Rot. Bonds2

About (3-piperidin-1-ylpyrrolidin-1-yl)-pyrrolidin-3-ylmethanone;dihydrochloride

(3-piperidin-1-ylpyrrolidin-1-yl)-pyrrolidin-3-ylmethanone;dihydrochloride (PubChem CID 119877849) has the molecular formula C14H27Cl2N3O and a molecular weight of 324.30 g/mol. Its IUPAC name is (3-piperidin-1-ylpyrrolidin-1-yl)-pyrrolidin-3-ylmethanone;dihydrochloride.

Molecular Properties

Compound Name(3-piperidin-1-ylpyrrolidin-1-yl)-pyrrolidin-3-ylmethanone;dihydrochloride
PubChem CID119877849
Molecular FormulaC14H27Cl2N3O
Molecular Weight324.30 g/mol
Exact Mass323.15
IUPAC Name(3-piperidin-1-ylpyrrolidin-1-yl)-pyrrolidin-3-ylmethanone;dihydrochloride
SMILESCl.Cl.O=C(C1CCNC1)N1CCC(N2CCCCC2)C1
InChIInChI=1S/C14H25N3O.2ClH/c18-14(12-4-6-15-10-12)17-9-5-13(11-17)16-7-2-1-3-8-16;;/h12-13,15H,1-11H2;2*1H
InChIKeyOGLYDTWHRXPWCD-UHFFFAOYSA-N
XLogP1.53
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

pyrrolidin-3-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 63167029
[(3S)-piperidin-3-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 81129587
1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl-[(3S)-piperidin-3-yl]methanone
CID 81129891
1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-[(3R)-piperidin-3-yl]methanone
CID 81141639
(3-morpholin-4-ylpyrrolidin-1-yl)-[(3S)-piperidin-3-yl]methanone
CID 81141484
pyrrolidin-1-yl(pyrrolidin-3-yl)methanone;hydrochloride
CID 67294247
(4-cyclobutylpiperazin-1-yl)-[(3R)-pyrrolidin-3-yl]methanone
CID 57463734
(3R)-1-(pyrrolidine-3-carbonyl)piperidine-3-carboxylic acid
CID 81120944
[(3R)-3-aminopiperidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
CID 131163040
[(3S)-3-hydroxypiperidin-1-yl]-pyrrolidin-3-ylmethanone
CID 107222844
azepan-4-yl-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 131891807
(4-hydroxypyrrolidin-2-yl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone;dihydrochloride
CID 119877822

Frequently Asked Questions

What is the IUPAC name of (3-piperidin-1-ylpyrrolidin-1-yl)-pyrrolidin-3-ylmethanone;dihydrochloride?
The IUPAC name of (3-piperidin-1-ylpyrrolidin-1-yl)-pyrrolidin-3-ylmethanone;dihydrochloride (CID 119877849) is (3-piperidin-1-ylpyrrolidin-1-yl)-pyrrolidin-3-ylmethanone;dihydrochloride.
What is the SMILES notation for (3-piperidin-1-ylpyrrolidin-1-yl)-pyrrolidin-3-ylmethanone;dihydrochloride?
The canonical SMILES for (3-piperidin-1-ylpyrrolidin-1-yl)-pyrrolidin-3-ylmethanone;dihydrochloride is Cl.Cl.O=C(C1CCNC1)N1CCC(N2CCCCC2)C1.
What is the InChIKey of (3-piperidin-1-ylpyrrolidin-1-yl)-pyrrolidin-3-ylmethanone;dihydrochloride?
The InChIKey is OGLYDTWHRXPWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O.2ClH/c18-14(12-4-6-15-10-12)17-9-5-13(11-17)16-7-2-1-3-8-16;;/h12-13,15H,1-11H2;2*1H.
What are the key properties of (3-piperidin-1-ylpyrrolidin-1-yl)-pyrrolidin-3-ylmethanone;dihydrochloride?
(3-piperidin-1-ylpyrrolidin-1-yl)-pyrrolidin-3-ylmethanone;dihydrochloride has a molecular weight of 324.30 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-piperidin-1-ylpyrrolidin-1-yl)-pyrrolidin-3-ylmethanone;dihydrochloride is sourced from PubChem (CID 119877849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).