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

C19H28N2O3 — CID 95758872

IUPAC1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one
SMILESCOc1ccccc1CCC(=O)N1CCN([C@@H]2CCC[C@@H]2O)CC1
InChIInChI=1S/C19H28N2O3/c1-24-18-8-3-2-5-15(18)9-10-19(23)21-13-11-20(12-14-21)16-6-4-7-17(16)22/h2-3,5,8,16-17,22H,4,6-7,9-14H2,1H3/t16-,17+/m1/s1
InChIKeyOIYHGJJQXZMKQO-SJORKVTESA-N
MW332.44 g/mol
LogP1.69
Rot. Bonds5

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

1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one (PubChem CID 95758872) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one
PubChem CID95758872
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one
SMILESCOc1ccccc1CCC(=O)N1CCN([C@@H]2CCC[C@@H]2O)CC1
InChIInChI=1S/C19H28N2O3/c1-24-18-8-3-2-5-15(18)9-10-19(23)21-13-11-20(12-14-21)16-6-4-7-17(16)22/h2-3,5,8,16-17,22H,4,6-7,9-14H2,1H3/t16-,17+/m1/s1
InChIKeyOIYHGJJQXZMKQO-SJORKVTESA-N
XLogP1.69
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

3-(2-ethoxyphenyl)-1-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]propan-1-one
CID 95758962
1-(4-cyclopentylpiperazin-1-yl)-3-(2-methoxyphenyl)propan-1-one;hydrochloride
CID 18456289
1-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-3-(2-methoxyphenoxy)propan-1-one
CID 95758763
3-(2-chlorophenyl)-1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]propan-1-one
CID 95759398
3-(2-methoxyphenyl)-1-(4-phenoxypiperidin-1-yl)propan-1-one
CID 110396740
methyl 4-[3-(2-methoxyphenyl)propanoyl]piperazine-1-carboxylate
CID 110365875
1-[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one
CID 110399849
3-(2,5-difluorophenyl)-1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]propan-1-one
CID 95759252
1-[4-(1-cyclopropylethyl)piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one
CID 110708802
3-(2-methoxyphenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 110755813
1-[4-(1-hydroxypropyl)piperidin-1-yl]-3-(2-methoxyphenyl)propan-1-one
CID 112537622
1-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 97017418

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one?
The IUPAC name of 1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one (CID 95758872) is 1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one.
What is the SMILES notation for 1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one?
The canonical SMILES for 1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one is COc1ccccc1CCC(=O)N1CCN([C@@H]2CCC[C@@H]2O)CC1.
What is the InChIKey of 1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one?
The InChIKey is OIYHGJJQXZMKQO-SJORKVTESA-N. The full InChI is InChI=1S/C19H28N2O3/c1-24-18-8-3-2-5-15(18)9-10-19(23)21-13-11-20(12-14-21)16-6-4-7-17(16)22/h2-3,5,8,16-17,22H,4,6-7,9-14H2,1H3/t16-,17+/m1/s1.
What are the key properties of 1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one?
1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one has a molecular weight of 332.44 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one is sourced from PubChem (CID 95758872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).