[4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone

C17H32N4O2 — CID 119869082

IUPAC[4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone
SMILESCC1CCC(C)N1CCN1CCN(C(=O)C2CC(O)CN2)CC1
InChIInChI=1S/C17H32N4O2/c1-13-3-4-14(2)21(13)10-7-19-5-8-20(9-6-19)17(23)16-11-15(22)12-18-16/h13-16,18,22H,3-12H2,1-2H3
InChIKeyWALRDUUGPYVIHM-UHFFFAOYSA-N
MW324.47 g/mol
LogP-0.27
Rot. Bonds4

About [4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone

[4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone (PubChem CID 119869082) has the molecular formula C17H32N4O2 and a molecular weight of 324.47 g/mol. Its IUPAC name is [4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name[4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone
PubChem CID119869082
Molecular FormulaC17H32N4O2
Molecular Weight324.47 g/mol
Exact Mass324.25
IUPAC Name[4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone
SMILESCC1CCC(C)N1CCN1CCN(C(=O)C2CC(O)CN2)CC1
InChIInChI=1S/C17H32N4O2/c1-13-3-4-14(2)21(13)10-7-19-5-8-20(9-6-19)17(23)16-11-15(22)12-18-16/h13-16,18,22H,3-12H2,1-2H3
InChIKeyWALRDUUGPYVIHM-UHFFFAOYSA-N
XLogP-0.27
TPSA59.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2-hydroxyethyl)piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone
CID 43501363
[4-(2-ethoxyethyl)piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone
CID 119843323
[4-(2-ethoxyethyl)piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone;dihydrochloride
CID 119843322
(4-hydroxypyrrolidin-2-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 61261071
[4-[2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]ethyl]piperazin-1-yl]-piperidin-4-ylmethanone
CID 124694194
(4-hydroxypyrrolidin-2-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone
CID 54873709
[(2R,4R)-4-hydroxypyrrolidin-2-yl]-(3-methylpyrrolidin-1-yl)methanone
CID 130877437
azepan-1-yl-[(2R,4S)-4-hydroxypyrrolidin-2-yl]methanone
CID 28943560
(4-hydroxypyrrolidin-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 54869715
(4-hydroxypyrrolidin-2-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 60937670
4-[(2S,4R)-4-hydroxypyrrolidine-2-carbonyl]piperazine-1-carbaldehyde
CID 168822256
2-[1-(4-hydroxypyrrolidine-2-carbonyl)piperidin-4-yl]acetic acid
CID 79615736

Frequently Asked Questions

What is the IUPAC name of [4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone?
The IUPAC name of [4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone (CID 119869082) is [4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone.
What is the SMILES notation for [4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone?
The canonical SMILES for [4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone is CC1CCC(C)N1CCN1CCN(C(=O)C2CC(O)CN2)CC1.
What is the InChIKey of [4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone?
The InChIKey is WALRDUUGPYVIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O2/c1-13-3-4-14(2)21(13)10-7-19-5-8-20(9-6-19)17(23)16-11-15(22)12-18-16/h13-16,18,22H,3-12H2,1-2H3.
What are the key properties of [4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone?
[4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone has a molecular weight of 324.47 g/mol, XLogP of -0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone is sourced from PubChem (CID 119869082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).