2-(1-hydroxycyclopentyl)-1-[4-(1-propylpiperidin-4-yl)piperazin-1-yl]ethanone

C19H35N3O2 — CID 71984255

IUPAC2-(1-hydroxycyclopentyl)-1-[4-(1-propylpiperidin-4-yl)piperazin-1-yl]ethanone
SMILESCCCN1CCC(N2CCN(C(=O)CC3(O)CCCC3)CC2)CC1
InChIInChI=1S/C19H35N3O2/c1-2-9-20-10-5-17(6-11-20)21-12-14-22(15-13-21)18(23)16-19(24)7-3-4-8-19/h17,24H,2-16H2,1H3
InChIKeyWQWYRGSIYJGHPH-UHFFFAOYSA-N
MW337.51 g/mol
LogP1.70
Rot. Bonds5

About 2-(1-hydroxycyclopentyl)-1-[4-(1-propylpiperidin-4-yl)piperazin-1-yl]ethanone

2-(1-hydroxycyclopentyl)-1-[4-(1-propylpiperidin-4-yl)piperazin-1-yl]ethanone (PubChem CID 71984255) has the molecular formula C19H35N3O2 and a molecular weight of 337.51 g/mol. Its IUPAC name is 2-(1-hydroxycyclopentyl)-1-[4-(1-propylpiperidin-4-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(1-hydroxycyclopentyl)-1-[4-(1-propylpiperidin-4-yl)piperazin-1-yl]ethanone
PubChem CID71984255
Molecular FormulaC19H35N3O2
Molecular Weight337.51 g/mol
Exact Mass337.27
IUPAC Name2-(1-hydroxycyclopentyl)-1-[4-(1-propylpiperidin-4-yl)piperazin-1-yl]ethanone
SMILESCCCN1CCC(N2CCN(C(=O)CC3(O)CCCC3)CC2)CC1
InChIInChI=1S/C19H35N3O2/c1-2-9-20-10-5-17(6-11-20)21-12-14-22(15-13-21)18(23)16-19(24)7-3-4-8-19/h17,24H,2-16H2,1H3
InChIKeyWQWYRGSIYJGHPH-UHFFFAOYSA-N
XLogP1.70
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.51
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclohexyl-1-[4-[2-(1-hydroxycyclopentyl)acetyl]piperazin-1-yl]ethanone
CID 111537735
1-[3-(azepan-1-yl)piperidin-1-yl]-2-(1-hydroxycyclopentyl)ethanone
CID 111538197
2-methoxy-1-[9-(4-propylpiperazin-1-yl)-3-azaspiro[5.5]undecan-3-yl]ethanone
CID 56714265
4-(1-propylpiperidin-4-yl)-1,4-thiazinane 1,1-dioxide
CID 91401399
ethane;1-[1-[1-(1-propylpiperidin-4-yl)piperidin-4-yl]piperidin-4-yl]ethanone
CID 169158837
2-(1-aminocyclobutyl)-1-(4-cyclopropylpiperazin-1-yl)ethanone;dihydrochloride
CID 75494695
2-(1-hydroxycyclohexyl)-1-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]ethanone
CID 75423557
3-(4-ethylpiperazin-1-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propan-1-one
CID 167027277
3-methyl-1-(1-propylazepan-4-yl)pyrrolidine-3-carboxylic acid
CID 65076980
1-(4-cyclohexylpiperazin-1-yl)propan-1-one
CID 113073042
1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]butan-1-one
CID 54447693
1-[2-(1-hydroxycyclohexyl)acetyl]-N-pentylpiperidine-4-carboxamide
CID 111536677

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxycyclopentyl)-1-[4-(1-propylpiperidin-4-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(1-hydroxycyclopentyl)-1-[4-(1-propylpiperidin-4-yl)piperazin-1-yl]ethanone (CID 71984255) is 2-(1-hydroxycyclopentyl)-1-[4-(1-propylpiperidin-4-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(1-hydroxycyclopentyl)-1-[4-(1-propylpiperidin-4-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(1-hydroxycyclopentyl)-1-[4-(1-propylpiperidin-4-yl)piperazin-1-yl]ethanone is CCCN1CCC(N2CCN(C(=O)CC3(O)CCCC3)CC2)CC1.
What is the InChIKey of 2-(1-hydroxycyclopentyl)-1-[4-(1-propylpiperidin-4-yl)piperazin-1-yl]ethanone?
The InChIKey is WQWYRGSIYJGHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O2/c1-2-9-20-10-5-17(6-11-20)21-12-14-22(15-13-21)18(23)16-19(24)7-3-4-8-19/h17,24H,2-16H2,1H3.
What are the key properties of 2-(1-hydroxycyclopentyl)-1-[4-(1-propylpiperidin-4-yl)piperazin-1-yl]ethanone?
2-(1-hydroxycyclopentyl)-1-[4-(1-propylpiperidin-4-yl)piperazin-1-yl]ethanone has a molecular weight of 337.51 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxycyclopentyl)-1-[4-(1-propylpiperidin-4-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 71984255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).