3-[4-[[2-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]phenyl]methyl]piperazin-1-yl]propanamide

C22H36N4O3 — CID 29218545

IUPAC3-[4-[[2-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]phenyl]methyl]piperazin-1-yl]propanamide
SMILESNC(=O)CCN1CCN(Cc2ccccc2OC[C@H](O)CN2CCCCC2)CC1
InChIInChI=1S/C22H36N4O3/c23-22(28)8-11-24-12-14-26(15-13-24)16-19-6-2-3-7-21(19)29-18-20(27)17-25-9-4-1-5-10-25/h2-3,6-7,20,27H,1,4-5,8-18H2,(H2,23,28)/t20-/m1/s1
InChIKeyAIGRAIKRVLNVFL-HXUWFJFHSA-N
MW404.56 g/mol
LogP0.91
Rot. Bonds10

About 3-[4-[[2-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]phenyl]methyl]piperazin-1-yl]propanamide

3-[4-[[2-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]phenyl]methyl]piperazin-1-yl]propanamide (PubChem CID 29218545) has the molecular formula C22H36N4O3 and a molecular weight of 404.56 g/mol. Its IUPAC name is 3-[4-[[2-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]phenyl]methyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound Name3-[4-[[2-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]phenyl]methyl]piperazin-1-yl]propanamide
PubChem CID29218545
Molecular FormulaC22H36N4O3
Molecular Weight404.56 g/mol
Exact Mass404.28
IUPAC Name3-[4-[[2-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]phenyl]methyl]piperazin-1-yl]propanamide
SMILESNC(=O)CCN1CCN(Cc2ccccc2OC[C@H](O)CN2CCCCC2)CC1
InChIInChI=1S/C22H36N4O3/c23-22(28)8-11-24-12-14-26(15-13-24)16-19-6-2-3-7-21(19)29-18-20(27)17-25-9-4-1-5-10-25/h2-3,6-7,20,27H,1,4-5,8-18H2,(H2,23,28)/t20-/m1/s1
InChIKeyAIGRAIKRVLNVFL-HXUWFJFHSA-N
XLogP0.91
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.56
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[4-[[2-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]phenyl]methyl]piperazin-1-yl]propanamide with MolForge

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Related Compounds

1-[4-[[2-[(2S)-2-hydroxy-3-piperidin-1-ylpropoxy]phenyl]methyl]-1,4-diazepan-1-yl]ethanone
CID 97285514
(2R)-1-[2-(piperidin-1-ylmethyl)phenoxy]-3-thiomorpholin-4-ylpropan-2-ol
CID 97280232
1-[[2-[(2S)-2-hydroxy-3-piperidin-1-ylpropoxy]phenyl]methyl]piperidine-4-carbonitrile
CID 97272514
1-[[2-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]phenyl]methyl]piperidine-4-carbonitrile
CID 97272513
1-cyclopentyl-4-[[2-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]methyl]piperazin-2-one
CID 45211340
1-[2-[(4-ethyl-1,4-diazepan-1-yl)methyl]phenoxy]-3-thiomorpholin-4-ylpropan-2-ol
CID 72900063
(2R)-1-(azepan-1-yl)-3-(2-chlorophenoxy)propan-2-ol
CID 2141702
1-(2-aminophenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 43364467
1-(azepan-1-yl)-3-(2-chlorophenoxy)propan-2-ol
CID 16807396
1-[2-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]ethanone
CID 2968485
1-(azocan-1-yl)-3-[5-methoxy-2-[(4-methylpiperazin-1-yl)methyl]phenoxy]propan-2-ol
CID 45248101
(2R)-1-[2-(6-oxa-9-azaspiro[4.5]decan-9-ylmethyl)phenoxy]-3-piperidin-1-ylpropan-2-ol
CID 97274933

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[2-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]phenyl]methyl]piperazin-1-yl]propanamide?
The IUPAC name of 3-[4-[[2-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]phenyl]methyl]piperazin-1-yl]propanamide (CID 29218545) is 3-[4-[[2-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]phenyl]methyl]piperazin-1-yl]propanamide.
What is the SMILES notation for 3-[4-[[2-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]phenyl]methyl]piperazin-1-yl]propanamide?
The canonical SMILES for 3-[4-[[2-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]phenyl]methyl]piperazin-1-yl]propanamide is NC(=O)CCN1CCN(Cc2ccccc2OC[C@H](O)CN2CCCCC2)CC1.
What is the InChIKey of 3-[4-[[2-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]phenyl]methyl]piperazin-1-yl]propanamide?
The InChIKey is AIGRAIKRVLNVFL-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H36N4O3/c23-22(28)8-11-24-12-14-26(15-13-24)16-19-6-2-3-7-21(19)29-18-20(27)17-25-9-4-1-5-10-25/h2-3,6-7,20,27H,1,4-5,8-18H2,(H2,23,28)/t20-/m1/s1.
What are the key properties of 3-[4-[[2-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]phenyl]methyl]piperazin-1-yl]propanamide?
3-[4-[[2-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]phenyl]methyl]piperazin-1-yl]propanamide has a molecular weight of 404.56 g/mol, XLogP of 0.91, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[2-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]phenyl]methyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 29218545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).