3-[1-[2-(1-hydroxycyclopentyl)acetyl]piperidin-4-yl]oxybenzonitrile

C19H24N2O3 — CID 111538092

IUPAC3-[1-[2-(1-hydroxycyclopentyl)acetyl]piperidin-4-yl]oxybenzonitrile
SMILESN#Cc1cccc(OC2CCN(C(=O)CC3(O)CCCC3)CC2)c1
InChIInChI=1S/C19H24N2O3/c20-14-15-4-3-5-17(12-15)24-16-6-10-21(11-7-16)18(22)13-19(23)8-1-2-9-19/h3-5,12,16,23H,1-2,6-11,13H2
InChIKeyUSVOQLAZIQFPGD-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.62
Rot. Bonds4

About 3-[1-[2-(1-hydroxycyclopentyl)acetyl]piperidin-4-yl]oxybenzonitrile

3-[1-[2-(1-hydroxycyclopentyl)acetyl]piperidin-4-yl]oxybenzonitrile (PubChem CID 111538092) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 3-[1-[2-(1-hydroxycyclopentyl)acetyl]piperidin-4-yl]oxybenzonitrile.

Molecular Properties

Compound Name3-[1-[2-(1-hydroxycyclopentyl)acetyl]piperidin-4-yl]oxybenzonitrile
PubChem CID111538092
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name3-[1-[2-(1-hydroxycyclopentyl)acetyl]piperidin-4-yl]oxybenzonitrile
SMILESN#Cc1cccc(OC2CCN(C(=O)CC3(O)CCCC3)CC2)c1
InChIInChI=1S/C19H24N2O3/c20-14-15-4-3-5-17(12-15)24-16-6-10-21(11-7-16)18(22)13-19(23)8-1-2-9-19/h3-5,12,16,23H,1-2,6-11,13H2
InChIKeyUSVOQLAZIQFPGD-UHFFFAOYSA-N
XLogP2.62
TPSA73.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-hydroxycyclohexyl)-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone
CID 111446341
3-[1-(4-hydroxybutyl)piperidin-4-yl]oxybenzonitrile
CID 111102144
3-[1-[(E)-2-cyano-3-(1-phenylcyclopropyl)prop-2-enoyl]piperidin-4-yl]oxybenzonitrile
CID 152891430
1-[2-[4-(3-bromophenoxy)piperidin-1-yl]-2-oxoethyl]cyclobutane-1-carboxylic acid
CID 120551558
3-[3-(3-cyanophenyl)phenoxy]pyrrolidine-1-carboxylic acid
CID 89480712
3-[(1-hydroxycyclohexyl)methoxy]benzonitrile
CID 65213745
3-[1-[3-phenyl-2-(tetrazol-1-yl)propanoyl]piperidin-4-yl]oxybenzonitrile
CID 86892105
3-(3-hydroxycyclohexyl)oxybenzonitrile
CID 117052718
3-[1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]piperidin-4-yl]oxybenzonitrile
CID 129380390
3-[1-(3-methoxy-4-phenylmethoxybenzoyl)piperidin-4-yl]oxybenzonitrile
CID 86892097
3-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]benzonitrile
CID 7964565
1-[4-(3-ethylphenoxy)piperidin-1-yl]propan-1-one
CID 110603192

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(1-hydroxycyclopentyl)acetyl]piperidin-4-yl]oxybenzonitrile?
The IUPAC name of 3-[1-[2-(1-hydroxycyclopentyl)acetyl]piperidin-4-yl]oxybenzonitrile (CID 111538092) is 3-[1-[2-(1-hydroxycyclopentyl)acetyl]piperidin-4-yl]oxybenzonitrile.
What is the SMILES notation for 3-[1-[2-(1-hydroxycyclopentyl)acetyl]piperidin-4-yl]oxybenzonitrile?
The canonical SMILES for 3-[1-[2-(1-hydroxycyclopentyl)acetyl]piperidin-4-yl]oxybenzonitrile is N#Cc1cccc(OC2CCN(C(=O)CC3(O)CCCC3)CC2)c1.
What is the InChIKey of 3-[1-[2-(1-hydroxycyclopentyl)acetyl]piperidin-4-yl]oxybenzonitrile?
The InChIKey is USVOQLAZIQFPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c20-14-15-4-3-5-17(12-15)24-16-6-10-21(11-7-16)18(22)13-19(23)8-1-2-9-19/h3-5,12,16,23H,1-2,6-11,13H2.
What are the key properties of 3-[1-[2-(1-hydroxycyclopentyl)acetyl]piperidin-4-yl]oxybenzonitrile?
3-[1-[2-(1-hydroxycyclopentyl)acetyl]piperidin-4-yl]oxybenzonitrile has a molecular weight of 328.41 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(1-hydroxycyclopentyl)acetyl]piperidin-4-yl]oxybenzonitrile is sourced from PubChem (CID 111538092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).