(3R)-1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-3-phenylpentan-1-one

C20H30N2O2 — CID 124859480

IUPAC(3R)-1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-3-phenylpentan-1-one
SMILESCC[C@H](CC(=O)N1CCN([C@H]2CCC[C@H]2O)CC1)c1ccccc1
InChIInChI=1S/C20H30N2O2/c1-2-16(17-7-4-3-5-8-17)15-20(24)22-13-11-21(12-14-22)18-9-6-10-19(18)23/h3-5,7-8,16,18-19,23H,2,6,9-15H2,1H3/t16-,18+,19-/m1/s1
InChIKeyADMZSHPAHOOOQB-NZSAHSFTSA-N
MW330.47 g/mol
LogP2.63
Rot. Bonds5

About (3R)-1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-3-phenylpentan-1-one

(3R)-1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-3-phenylpentan-1-one (PubChem CID 124859480) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is (3R)-1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-3-phenylpentan-1-one.

Molecular Properties

Compound Name(3R)-1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-3-phenylpentan-1-one
PubChem CID124859480
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name(3R)-1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-3-phenylpentan-1-one
SMILESCC[C@H](CC(=O)N1CCN([C@H]2CCC[C@H]2O)CC1)c1ccccc1
InChIInChI=1S/C20H30N2O2/c1-2-16(17-7-4-3-5-8-17)15-20(24)22-13-11-21(12-14-22)18-9-6-10-19(18)23/h3-5,7-8,16,18-19,23H,2,6,9-15H2,1H3/t16-,18+,19-/m1/s1
InChIKeyADMZSHPAHOOOQB-NZSAHSFTSA-N
XLogP2.63
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-3-phenylpentan-1-one with MolForge

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Related Compounds

(3R)-3-(2-fluorophenyl)-1-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]butan-1-one
CID 124733179
1-(3-phenylpentanoyl)piperidine-3-carboxylic acid
CID 119167620
(2R)-1-(3-phenylpentanoyl)pyrrolidine-2-carboxylic acid
CID 119372031
1-(3-benzylazetidin-1-yl)-3-phenylpentan-1-one
CID 67289403
2-(2-chlorophenyl)-1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]ethanone
CID 97014148
1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-4-phenoxybutan-1-one
CID 95759309
1-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 95758980
3-(2-ethoxyphenyl)-1-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]propan-1-one
CID 95758962
1-[3-(4-methoxyphenyl)pentanoyl]piperidine-4-carboxylic acid
CID 120684265
3-(2-chlorophenyl)-1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]propan-1-one
CID 95759398
1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one
CID 95758872
1-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-3-(2-methoxyphenoxy)propan-1-one
CID 95758763

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-3-phenylpentan-1-one?
The IUPAC name of (3R)-1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-3-phenylpentan-1-one (CID 124859480) is (3R)-1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-3-phenylpentan-1-one.
What is the SMILES notation for (3R)-1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-3-phenylpentan-1-one?
The canonical SMILES for (3R)-1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-3-phenylpentan-1-one is CC[C@H](CC(=O)N1CCN([C@H]2CCC[C@H]2O)CC1)c1ccccc1.
What is the InChIKey of (3R)-1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-3-phenylpentan-1-one?
The InChIKey is ADMZSHPAHOOOQB-NZSAHSFTSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-2-16(17-7-4-3-5-8-17)15-20(24)22-13-11-21(12-14-22)18-9-6-10-19(18)23/h3-5,7-8,16,18-19,23H,2,6,9-15H2,1H3/t16-,18+,19-/m1/s1.
What are the key properties of (3R)-1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-3-phenylpentan-1-one?
(3R)-1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-3-phenylpentan-1-one has a molecular weight of 330.47 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-3-phenylpentan-1-one is sourced from PubChem (CID 124859480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).