cyclopentyl-[4-[(2R)-2-hydroxy-3-phenoxypropyl]piperazin-1-yl]methanone

C19H28N2O3 — CID 95934856

IUPACcyclopentyl-[4-[(2R)-2-hydroxy-3-phenoxypropyl]piperazin-1-yl]methanone
SMILESO=C(C1CCCC1)N1CCN(C[C@@H](O)COc2ccccc2)CC1
InChIInChI=1S/C19H28N2O3/c22-17(15-24-18-8-2-1-3-9-18)14-20-10-12-21(13-11-20)19(23)16-6-4-5-7-16/h1-3,8-9,16-17,22H,4-7,10-15H2/t17-/m1/s1
InChIKeyUQQZSBBUNIJEPK-QGZVFWFLSA-N
MW332.44 g/mol
LogP1.76
Rot. Bonds6

About cyclopentyl-[4-[(2R)-2-hydroxy-3-phenoxypropyl]piperazin-1-yl]methanone

cyclopentyl-[4-[(2R)-2-hydroxy-3-phenoxypropyl]piperazin-1-yl]methanone (PubChem CID 95934856) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is cyclopentyl-[4-[(2R)-2-hydroxy-3-phenoxypropyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[4-[(2R)-2-hydroxy-3-phenoxypropyl]piperazin-1-yl]methanone
PubChem CID95934856
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Namecyclopentyl-[4-[(2R)-2-hydroxy-3-phenoxypropyl]piperazin-1-yl]methanone
SMILESO=C(C1CCCC1)N1CCN(C[C@@H](O)COc2ccccc2)CC1
InChIInChI=1S/C19H28N2O3/c22-17(15-24-18-8-2-1-3-9-18)14-20-10-12-21(13-11-20)19(23)16-6-4-5-7-16/h1-3,8-9,16-17,22H,4-7,10-15H2/t17-/m1/s1
InChIKeyUQQZSBBUNIJEPK-QGZVFWFLSA-N
XLogP1.76
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2-hydroxy-3-phenoxypropyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 110882103
1-[4-(2-hydroxy-3-phenoxypropyl)-1,4-diazepan-1-yl]propan-1-one
CID 110899785
2-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]acetic acid
CID 119135376
N-cyclopropyl-2-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-2-oxoacetamide
CID 47039869
cyclopropyl-[4-[(2S)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]piperazin-1-yl]methanone
CID 2535934
hydron;1-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-2-phenoxyethanone;chloride
CID 649806
1-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-2-(methylamino)ethanone
CID 120704605
N-(cyclopropylmethyl)-1-(2-hydroxy-3-phenoxypropyl)piperidine-3-carboxamide
CID 110892635
cyclopropyl-[4-(2-phenoxyethyl)-1,4-diazepan-1-yl]methanone
CID 165435335
(E)-1-[4-[(2R)-2-hydroxy-3-phenoxypropyl]piperazin-1-yl]-3-phenylprop-2-en-1-one
CID 1119139
(2S)-2-amino-1-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]butan-1-one
CID 119881232
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-3-phenoxypropan-1-one
CID 110364757

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[4-[(2R)-2-hydroxy-3-phenoxypropyl]piperazin-1-yl]methanone?
The IUPAC name of cyclopentyl-[4-[(2R)-2-hydroxy-3-phenoxypropyl]piperazin-1-yl]methanone (CID 95934856) is cyclopentyl-[4-[(2R)-2-hydroxy-3-phenoxypropyl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[4-[(2R)-2-hydroxy-3-phenoxypropyl]piperazin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[4-[(2R)-2-hydroxy-3-phenoxypropyl]piperazin-1-yl]methanone is O=C(C1CCCC1)N1CCN(C[C@@H](O)COc2ccccc2)CC1.
What is the InChIKey of cyclopentyl-[4-[(2R)-2-hydroxy-3-phenoxypropyl]piperazin-1-yl]methanone?
The InChIKey is UQQZSBBUNIJEPK-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H28N2O3/c22-17(15-24-18-8-2-1-3-9-18)14-20-10-12-21(13-11-20)19(23)16-6-4-5-7-16/h1-3,8-9,16-17,22H,4-7,10-15H2/t17-/m1/s1.
What are the key properties of cyclopentyl-[4-[(2R)-2-hydroxy-3-phenoxypropyl]piperazin-1-yl]methanone?
cyclopentyl-[4-[(2R)-2-hydroxy-3-phenoxypropyl]piperazin-1-yl]methanone has a molecular weight of 332.44 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[4-[(2R)-2-hydroxy-3-phenoxypropyl]piperazin-1-yl]methanone is sourced from PubChem (CID 95934856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).