1-[4-[[1-(4-hydroxy-4-pyridin-2-ylcyclohexyl)pyrrolidin-3-yl]methyl]piperazin-1-yl]ethanone

C22H34N4O2 — CID 143249723

IUPAC1-[4-[[1-(4-hydroxy-4-pyridin-2-ylcyclohexyl)pyrrolidin-3-yl]methyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CC2CCN(C3CCC(O)(c4ccccn4)CC3)C2)CC1
InChIInChI=1S/C22H34N4O2/c1-18(27)25-14-12-24(13-15-25)16-19-7-11-26(17-19)20-5-8-22(28,9-6-20)21-4-2-3-10-23-21/h2-4,10,19-20,28H,5-9,11-17H2,1H3
InChIKeyOPMFNNANHYRYKH-UHFFFAOYSA-N
MW386.54 g/mol
LogP1.70
Rot. Bonds4

About 1-[4-[[1-(4-hydroxy-4-pyridin-2-ylcyclohexyl)pyrrolidin-3-yl]methyl]piperazin-1-yl]ethanone

1-[4-[[1-(4-hydroxy-4-pyridin-2-ylcyclohexyl)pyrrolidin-3-yl]methyl]piperazin-1-yl]ethanone (PubChem CID 143249723) has the molecular formula C22H34N4O2 and a molecular weight of 386.54 g/mol. Its IUPAC name is 1-[4-[[1-(4-hydroxy-4-pyridin-2-ylcyclohexyl)pyrrolidin-3-yl]methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[1-(4-hydroxy-4-pyridin-2-ylcyclohexyl)pyrrolidin-3-yl]methyl]piperazin-1-yl]ethanone
PubChem CID143249723
Molecular FormulaC22H34N4O2
Molecular Weight386.54 g/mol
Exact Mass386.27
IUPAC Name1-[4-[[1-(4-hydroxy-4-pyridin-2-ylcyclohexyl)pyrrolidin-3-yl]methyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CC2CCN(C3CCC(O)(c4ccccn4)CC3)C2)CC1
InChIInChI=1S/C22H34N4O2/c1-18(27)25-14-12-24(13-15-25)16-19-7-11-26(17-19)20-5-8-22(28,9-6-20)21-4-2-3-10-23-21/h2-4,10,19-20,28H,5-9,11-17H2,1H3
InChIKeyOPMFNNANHYRYKH-UHFFFAOYSA-N
XLogP1.70
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-[[1-(4-hydroxy-4-pyridin-2-ylcyclohexyl)pyrrolidin-3-yl]methyl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

1-[3-[(4-pyridin-2-ylpiperidin-1-yl)methyl]piperidin-1-yl]ethanone
CID 54259387
4-[(3R)-3-aminopyrrolidin-1-yl]-1-pyridazin-3-ylcyclohexan-1-ol
CID 141093198
N,N-diethyl-2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)acetamide
CID 126468258
1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2,2-dimethylpropan-1-one
CID 89459236
4-[(3R)-3-aminopyrrolidin-1-yl]-1-pyridin-3-ylcyclohexan-1-ol
CID 141093156
4-hydroxy-4-pyridin-2-ylcyclohexane-1-carbaldehyde
CID 170973042
3-methyl-1-[(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]but-2-en-1-one
CID 95299376
1-[9-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]-3-azaspiro[5.5]undecan-3-yl]ethanone
CID 56704217
1-[4-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]piperazin-1-yl]ethanone
CID 167190623
1-[4-[(2-chloro-3-pyridinyl)methyl]piperidin-1-yl]ethanone
CID 175662189
(4S)-4-(3,4-difluorophenyl)-N-[(3R)-1-(4-hydroxy-4-pyridin-2-ylcyclohexyl)pyrrolidin-3-yl]-2-oxo-1,3-oxazolidine-3-carboxamide
CID 15463429
4-[(1-cyclopropylpiperidin-3-yl)methyl]piperazine-1-carboxylic acid
CID 68705249

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[1-(4-hydroxy-4-pyridin-2-ylcyclohexyl)pyrrolidin-3-yl]methyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[[1-(4-hydroxy-4-pyridin-2-ylcyclohexyl)pyrrolidin-3-yl]methyl]piperazin-1-yl]ethanone (CID 143249723) is 1-[4-[[1-(4-hydroxy-4-pyridin-2-ylcyclohexyl)pyrrolidin-3-yl]methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[1-(4-hydroxy-4-pyridin-2-ylcyclohexyl)pyrrolidin-3-yl]methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[1-(4-hydroxy-4-pyridin-2-ylcyclohexyl)pyrrolidin-3-yl]methyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(CC2CCN(C3CCC(O)(c4ccccn4)CC3)C2)CC1.
What is the InChIKey of 1-[4-[[1-(4-hydroxy-4-pyridin-2-ylcyclohexyl)pyrrolidin-3-yl]methyl]piperazin-1-yl]ethanone?
The InChIKey is OPMFNNANHYRYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O2/c1-18(27)25-14-12-24(13-15-25)16-19-7-11-26(17-19)20-5-8-22(28,9-6-20)21-4-2-3-10-23-21/h2-4,10,19-20,28H,5-9,11-17H2,1H3.
What are the key properties of 1-[4-[[1-(4-hydroxy-4-pyridin-2-ylcyclohexyl)pyrrolidin-3-yl]methyl]piperazin-1-yl]ethanone?
1-[4-[[1-(4-hydroxy-4-pyridin-2-ylcyclohexyl)pyrrolidin-3-yl]methyl]piperazin-1-yl]ethanone has a molecular weight of 386.54 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[1-(4-hydroxy-4-pyridin-2-ylcyclohexyl)pyrrolidin-3-yl]methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 143249723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).