1-[4-(2-hydroxycyclopentyl)piperazin-1-yl]-3-(4-methylphenoxy)propan-1-one

C19H28N2O3 — CID 167918207

IUPAC1-[4-(2-hydroxycyclopentyl)piperazin-1-yl]-3-(4-methylphenoxy)propan-1-one
SMILESCc1ccc(OCCC(=O)N2CCN(C3CCCC3O)CC2)cc1
InChIInChI=1S/C19H28N2O3/c1-15-5-7-16(8-6-15)24-14-9-19(23)21-12-10-20(11-13-21)17-3-2-4-18(17)22/h5-8,17-18,22H,2-4,9-14H2,1H3
InChIKeyGYTACDMKSMKHTQ-UHFFFAOYSA-N
MW332.44 g/mol
LogP1.82
Rot. Bonds5

About 1-[4-(2-hydroxycyclopentyl)piperazin-1-yl]-3-(4-methylphenoxy)propan-1-one

1-[4-(2-hydroxycyclopentyl)piperazin-1-yl]-3-(4-methylphenoxy)propan-1-one (PubChem CID 167918207) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 1-[4-(2-hydroxycyclopentyl)piperazin-1-yl]-3-(4-methylphenoxy)propan-1-one.

Molecular Properties

Compound Name1-[4-(2-hydroxycyclopentyl)piperazin-1-yl]-3-(4-methylphenoxy)propan-1-one
PubChem CID167918207
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name1-[4-(2-hydroxycyclopentyl)piperazin-1-yl]-3-(4-methylphenoxy)propan-1-one
SMILESCc1ccc(OCCC(=O)N2CCN(C3CCCC3O)CC2)cc1
InChIInChI=1S/C19H28N2O3/c1-15-5-7-16(8-6-15)24-14-9-19(23)21-12-10-20(11-13-21)17-3-2-4-18(17)22/h5-8,17-18,22H,2-4,9-14H2,1H3
InChIKeyGYTACDMKSMKHTQ-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-4-phenoxybutan-1-one
CID 95759309
3-(4-methylphenoxy)-1-(4-methylpiperazin-1-yl)propan-1-one
CID 60634826
1-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-3-(2-methoxyphenoxy)propan-1-one
CID 95758763
1-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-(4-methylphenoxy)propan-1-one
CID 2423189
1-[4-(4-methylphenyl)piperazin-1-yl]-3-phenoxypropan-1-one
CID 113075303
1-(4-hydroxy-4-methylpiperidin-1-yl)-3-(4-methylphenoxy)propan-1-one
CID 80707475
1-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-3-phenoxypropan-1-one
CID 110638149
(2R)-1-[3-(4-methylphenoxy)propanoyl]pyrrolidine-2-carboxylic acid
CID 78922353
1-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]-3-phenoxypropan-1-one
CID 110798285
3-(4-methylphenoxy)-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one
CID 8922275
2-[1-[3-(4-methylphenoxy)propanoyl]azetidin-3-yl]acetic acid
CID 64603524
(2R)-1-[3-(4-methylphenoxy)propanoyl]piperidine-2-carboxylic acid
CID 79035326

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxycyclopentyl)piperazin-1-yl]-3-(4-methylphenoxy)propan-1-one?
The IUPAC name of 1-[4-(2-hydroxycyclopentyl)piperazin-1-yl]-3-(4-methylphenoxy)propan-1-one (CID 167918207) is 1-[4-(2-hydroxycyclopentyl)piperazin-1-yl]-3-(4-methylphenoxy)propan-1-one.
What is the SMILES notation for 1-[4-(2-hydroxycyclopentyl)piperazin-1-yl]-3-(4-methylphenoxy)propan-1-one?
The canonical SMILES for 1-[4-(2-hydroxycyclopentyl)piperazin-1-yl]-3-(4-methylphenoxy)propan-1-one is Cc1ccc(OCCC(=O)N2CCN(C3CCCC3O)CC2)cc1.
What is the InChIKey of 1-[4-(2-hydroxycyclopentyl)piperazin-1-yl]-3-(4-methylphenoxy)propan-1-one?
The InChIKey is GYTACDMKSMKHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-15-5-7-16(8-6-15)24-14-9-19(23)21-12-10-20(11-13-21)17-3-2-4-18(17)22/h5-8,17-18,22H,2-4,9-14H2,1H3.
What are the key properties of 1-[4-(2-hydroxycyclopentyl)piperazin-1-yl]-3-(4-methylphenoxy)propan-1-one?
1-[4-(2-hydroxycyclopentyl)piperazin-1-yl]-3-(4-methylphenoxy)propan-1-one has a molecular weight of 332.44 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-hydroxycyclopentyl)piperazin-1-yl]-3-(4-methylphenoxy)propan-1-one is sourced from PubChem (CID 167918207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).