6-(4-chlorophenyl)-1-(5-hydroxyhexan-3-yl)-3-prop-2-enylpiperidin-2-one

C20H28ClNO2 — CID 138641630

IUPAC6-(4-chlorophenyl)-1-(5-hydroxyhexan-3-yl)-3-prop-2-enylpiperidin-2-one
SMILESC=CCC1CCC(c2ccc(Cl)cc2)N(C(CC)CC(C)O)C1=O
InChIInChI=1S/C20H28ClNO2/c1-4-6-16-9-12-19(15-7-10-17(21)11-8-15)22(20(16)24)18(5-2)13-14(3)23/h4,7-8,10-11,14,16,18-19,23H,1,5-6,9,12-13H2,2-3H3
InChIKeyRGGJXJGXBSUZSO-UHFFFAOYSA-N
MW349.90 g/mol
LogP4.75
Rot. Bonds7

About 6-(4-chlorophenyl)-1-(5-hydroxyhexan-3-yl)-3-prop-2-enylpiperidin-2-one

6-(4-chlorophenyl)-1-(5-hydroxyhexan-3-yl)-3-prop-2-enylpiperidin-2-one (PubChem CID 138641630) has the molecular formula C20H28ClNO2 and a molecular weight of 349.90 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-1-(5-hydroxyhexan-3-yl)-3-prop-2-enylpiperidin-2-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-1-(5-hydroxyhexan-3-yl)-3-prop-2-enylpiperidin-2-one
PubChem CID138641630
Molecular FormulaC20H28ClNO2
Molecular Weight349.90 g/mol
Exact Mass349.18
IUPAC Name6-(4-chlorophenyl)-1-(5-hydroxyhexan-3-yl)-3-prop-2-enylpiperidin-2-one
SMILESC=CCC1CCC(c2ccc(Cl)cc2)N(C(CC)CC(C)O)C1=O
InChIInChI=1S/C20H28ClNO2/c1-4-6-16-9-12-19(15-7-10-17(21)11-8-15)22(20(16)24)18(5-2)13-14(3)23/h4,7-8,10-11,14,16,18-19,23H,1,5-6,9,12-13H2,2-3H3
InChIKeyRGGJXJGXBSUZSO-UHFFFAOYSA-N
XLogP4.75
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.90
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3R)-6-(4-chlorophenyl)-1-[(2S)-1-ethylsulfanylbutan-2-yl]-3-prop-2-enylpiperidin-2-one
CID 138641588
(3R)-6-(4-chlorophenyl)-1-(1-methoxybutan-2-yl)-3-prop-2-enylpiperidin-2-one
CID 138641954
6-(4-chlorophenyl)-1-(7-oxooctan-3-yl)-3-prop-2-enylpiperidin-2-one
CID 138641449
(3R)-6-(4-chlorophenyl)-1-[1-(cyclopropylmethoxy)butan-2-yl]-3-prop-2-enylpiperidin-2-one
CID 138641349
6-(4-chlorophenyl)-1-(3-methyl-1-propan-2-ylsulfanylbutan-2-yl)-3-prop-2-enylpiperidin-2-one
CID 144758098
(3R)-6-(4-chlorophenyl)-1-[1-(oxan-2-yl)propyl]-3-prop-2-enylpiperidin-2-one
CID 138641760
2-[(3R)-6-(4-chlorophenyl)-2-oxo-1-[(3S)-6,6,6-trifluoro-5-hydroxyhexan-3-yl]piperidin-3-yl]acetic acid
CID 170300097
(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-(1-hydroxybutan-2-yl)-3-prop-2-enylpiperidin-2-one
CID 67998288
N-[2-[(6S)-6-(4-chlorophenyl)-2-oxo-3-prop-2-enylpiperidin-1-yl]-2-cyclopropylethyl]-N-pyridin-3-ylmethanesulfinamide
CID 138642050
ethyl 2-[2-[(2S,3R,5S)-3-(3-chlorophenyl)-2-(4-chlorophenyl)-6-oxo-5-prop-2-enylpiperidin-1-yl]butoxy]acetate
CID 67999694
(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(2S)-1-(cyclopropylmethoxy)butan-2-yl]-3-prop-2-enylpiperidin-2-one
CID 58573741
(3R)-6-(4-chlorophenyl)-1-(1-cyclopropyl-2-hydroxypropyl)-3-methyl-3-prop-2-enylpiperidin-2-one
CID 138641817

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-1-(5-hydroxyhexan-3-yl)-3-prop-2-enylpiperidin-2-one?
The IUPAC name of 6-(4-chlorophenyl)-1-(5-hydroxyhexan-3-yl)-3-prop-2-enylpiperidin-2-one (CID 138641630) is 6-(4-chlorophenyl)-1-(5-hydroxyhexan-3-yl)-3-prop-2-enylpiperidin-2-one.
What is the SMILES notation for 6-(4-chlorophenyl)-1-(5-hydroxyhexan-3-yl)-3-prop-2-enylpiperidin-2-one?
The canonical SMILES for 6-(4-chlorophenyl)-1-(5-hydroxyhexan-3-yl)-3-prop-2-enylpiperidin-2-one is C=CCC1CCC(c2ccc(Cl)cc2)N(C(CC)CC(C)O)C1=O.
What is the InChIKey of 6-(4-chlorophenyl)-1-(5-hydroxyhexan-3-yl)-3-prop-2-enylpiperidin-2-one?
The InChIKey is RGGJXJGXBSUZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28ClNO2/c1-4-6-16-9-12-19(15-7-10-17(21)11-8-15)22(20(16)24)18(5-2)13-14(3)23/h4,7-8,10-11,14,16,18-19,23H,1,5-6,9,12-13H2,2-3H3.
What are the key properties of 6-(4-chlorophenyl)-1-(5-hydroxyhexan-3-yl)-3-prop-2-enylpiperidin-2-one?
6-(4-chlorophenyl)-1-(5-hydroxyhexan-3-yl)-3-prop-2-enylpiperidin-2-one has a molecular weight of 349.90 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-1-(5-hydroxyhexan-3-yl)-3-prop-2-enylpiperidin-2-one is sourced from PubChem (CID 138641630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).