(4-hydroxypyrrolidin-2-yl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone;dihydrochloride

C14H27Cl2N3O2 — CID 119877822

IUPAC(4-hydroxypyrrolidin-2-yl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone;dihydrochloride
SMILESCl.Cl.O=C(C1CC(O)CN1)N1CCC(N2CCCCC2)C1
InChIInChI=1S/C14H25N3O2.2ClH/c18-12-8-13(15-9-12)14(19)17-7-4-11(10-17)16-5-2-1-3-6-16;;/h11-13,15,18H,1-10H2;2*1H
InChIKeyCEOWXXITQWNMAZ-UHFFFAOYSA-N
MW340.30 g/mol
LogP0.64
Rot. Bonds2

About (4-hydroxypyrrolidin-2-yl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone;dihydrochloride

(4-hydroxypyrrolidin-2-yl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone;dihydrochloride (PubChem CID 119877822) has the molecular formula C14H27Cl2N3O2 and a molecular weight of 340.30 g/mol. Its IUPAC name is (4-hydroxypyrrolidin-2-yl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name(4-hydroxypyrrolidin-2-yl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone;dihydrochloride
PubChem CID119877822
Molecular FormulaC14H27Cl2N3O2
Molecular Weight340.30 g/mol
Exact Mass339.15
IUPAC Name(4-hydroxypyrrolidin-2-yl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone;dihydrochloride
SMILESCl.Cl.O=C(C1CC(O)CN1)N1CCC(N2CCCCC2)C1
InChIInChI=1S/C14H25N3O2.2ClH/c18-12-8-13(15-9-12)14(19)17-7-4-11(10-17)16-5-2-1-3-6-16;;/h11-13,15,18H,1-10H2;2*1H
InChIKeyCEOWXXITQWNMAZ-UHFFFAOYSA-N
XLogP0.64
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.30
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S,4S)-4-hydroxypyrrolidin-2-yl]-[(3S)-3-pyrrolidin-1-ylpiperidin-1-yl]methanone
CID 93375850
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-hydroxypyrrolidin-2-yl)methanone;dihydrochloride
CID 119881530
(4-methoxypyrrolidin-2-yl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone
CID 63167377
azepan-1-yl-[(2R,4S)-4-hydroxypyrrolidin-2-yl]methanone
CID 28943560
[(2R,4R)-4-hydroxypyrrolidin-2-yl]-(3-methylpyrrolidin-1-yl)methanone
CID 130877437
(4-cyclopentyl-1,4-diazepan-1-yl)-[(2R,4R)-4-hydroxypyrrolidin-2-yl]methanone
CID 91603121
5-(3-piperidin-1-ylpyrrolidine-1-carbonyl)piperazin-2-one
CID 107436462
(3-piperidin-1-ylpyrrolidin-1-yl)-pyrrolidin-3-ylmethanone;dihydrochloride
CID 119877849
(4-hydroxypyrrolidin-2-yl)-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone;dihydrochloride
CID 119888269
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone
CID 114797528
N-[1-(4-hydroxypyrrolidine-2-carbonyl)piperidin-3-yl]acetamide
CID 54872034
1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl(pyrrolidin-2-yl)methanone;dihydrochloride
CID 119868355

Frequently Asked Questions

What is the IUPAC name of (4-hydroxypyrrolidin-2-yl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone;dihydrochloride?
The IUPAC name of (4-hydroxypyrrolidin-2-yl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone;dihydrochloride (CID 119877822) is (4-hydroxypyrrolidin-2-yl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone;dihydrochloride.
What is the SMILES notation for (4-hydroxypyrrolidin-2-yl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone;dihydrochloride?
The canonical SMILES for (4-hydroxypyrrolidin-2-yl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone;dihydrochloride is Cl.Cl.O=C(C1CC(O)CN1)N1CCC(N2CCCCC2)C1.
What is the InChIKey of (4-hydroxypyrrolidin-2-yl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone;dihydrochloride?
The InChIKey is CEOWXXITQWNMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2.2ClH/c18-12-8-13(15-9-12)14(19)17-7-4-11(10-17)16-5-2-1-3-6-16;;/h11-13,15,18H,1-10H2;2*1H.
What are the key properties of (4-hydroxypyrrolidin-2-yl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone;dihydrochloride?
(4-hydroxypyrrolidin-2-yl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone;dihydrochloride has a molecular weight of 340.30 g/mol, XLogP of 0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxypyrrolidin-2-yl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone;dihydrochloride is sourced from PubChem (CID 119877822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).