(4-hydroxypyrrolidin-2-yl)-(4-phenoxypiperidin-1-yl)methanone

C16H22N2O3 — CID 60858034

IUPAC(4-hydroxypyrrolidin-2-yl)-(4-phenoxypiperidin-1-yl)methanone
SMILESO=C(C1CC(O)CN1)N1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C16H22N2O3/c19-12-10-15(17-11-12)16(20)18-8-6-14(7-9-18)21-13-4-2-1-3-5-13/h1-5,12,14-15,17,19H,6-11H2
InChIKeyARPZWPJTEPVZGG-UHFFFAOYSA-N
MW290.36 g/mol
LogP0.78
Rot. Bonds3

About (4-hydroxypyrrolidin-2-yl)-(4-phenoxypiperidin-1-yl)methanone

(4-hydroxypyrrolidin-2-yl)-(4-phenoxypiperidin-1-yl)methanone (PubChem CID 60858034) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is (4-hydroxypyrrolidin-2-yl)-(4-phenoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-hydroxypyrrolidin-2-yl)-(4-phenoxypiperidin-1-yl)methanone
PubChem CID60858034
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name(4-hydroxypyrrolidin-2-yl)-(4-phenoxypiperidin-1-yl)methanone
SMILESO=C(C1CC(O)CN1)N1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C16H22N2O3/c19-12-10-15(17-11-12)16(20)18-8-6-14(7-9-18)21-13-4-2-1-3-5-13/h1-5,12,14-15,17,19H,6-11H2
InChIKeyARPZWPJTEPVZGG-UHFFFAOYSA-N
XLogP0.78
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R,4R)-4-hydroxypyrrolidin-2-yl]-[4-(2-phenylethoxy)piperidin-1-yl]methanone
CID 125154106
(4-phenoxypiperidin-1-yl)-piperidin-2-ylmethanone
CID 60859991
(4-cyclobutyl-1,4-diazepan-1-yl)-[(2S,4S)-4-phenoxypyrrolidin-2-yl]methanone
CID 91469408
[(2S,4R)-4-hydroxypyrrolidin-2-yl]-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 124889673
[4-(2-hydroxybenzoyl)piperazin-1-yl]-[(2S,4S)-4-phenoxypyrrolidin-2-yl]methanone
CID 167832008
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-(4-phenoxypiperidin-1-yl)methanone;hydrochloride
CID 119290317
phenyl 4-phenoxypiperidine-1-carboxylate
CID 110396730
[4-(3,5-dimethoxyanilino)piperidin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone
CID 119898039
2-[1-(4-hydroxypyrrolidine-2-carbonyl)piperidin-4-yl]acetic acid
CID 79615736
[(3S)-3-(3,4-dichlorophenoxy)piperidin-1-yl]-[(2S,4S)-4-hydroxypyrrolidin-2-yl]methanone
CID 125135306
azepan-1-yl-[(2R,4S)-4-hydroxypyrrolidin-2-yl]methanone
CID 28943560
[(2R,4R)-4-hydroxypyrrolidin-2-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 125118026

Frequently Asked Questions

What is the IUPAC name of (4-hydroxypyrrolidin-2-yl)-(4-phenoxypiperidin-1-yl)methanone?
The IUPAC name of (4-hydroxypyrrolidin-2-yl)-(4-phenoxypiperidin-1-yl)methanone (CID 60858034) is (4-hydroxypyrrolidin-2-yl)-(4-phenoxypiperidin-1-yl)methanone.
What is the SMILES notation for (4-hydroxypyrrolidin-2-yl)-(4-phenoxypiperidin-1-yl)methanone?
The canonical SMILES for (4-hydroxypyrrolidin-2-yl)-(4-phenoxypiperidin-1-yl)methanone is O=C(C1CC(O)CN1)N1CCC(Oc2ccccc2)CC1.
What is the InChIKey of (4-hydroxypyrrolidin-2-yl)-(4-phenoxypiperidin-1-yl)methanone?
The InChIKey is ARPZWPJTEPVZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c19-12-10-15(17-11-12)16(20)18-8-6-14(7-9-18)21-13-4-2-1-3-5-13/h1-5,12,14-15,17,19H,6-11H2.
What are the key properties of (4-hydroxypyrrolidin-2-yl)-(4-phenoxypiperidin-1-yl)methanone?
(4-hydroxypyrrolidin-2-yl)-(4-phenoxypiperidin-1-yl)methanone has a molecular weight of 290.36 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxypyrrolidin-2-yl)-(4-phenoxypiperidin-1-yl)methanone is sourced from PubChem (CID 60858034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).