[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(4-phenylpiperidin-4-yl)methanone

C16H22N2O3 — CID 107220719

IUPAC[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(4-phenylpiperidin-4-yl)methanone
SMILESO=C(N1C[C@@H](O)[C@@H](O)C1)C1(c2ccccc2)CCNCC1
InChIInChI=1S/C16H22N2O3/c19-13-10-18(11-14(13)20)15(21)16(6-8-17-9-7-16)12-4-2-1-3-5-12/h1-5,13-14,17,19-20H,6-11H2/t13-,14+
InChIKeyXAWVFFZRMDWNNZ-OKILXGFUSA-N
MW290.36 g/mol
LogP-0.13
Rot. Bonds2

About [(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(4-phenylpiperidin-4-yl)methanone

[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(4-phenylpiperidin-4-yl)methanone (PubChem CID 107220719) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is [(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(4-phenylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(4-phenylpiperidin-4-yl)methanone
PubChem CID107220719
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(4-phenylpiperidin-4-yl)methanone
SMILESO=C(N1C[C@@H](O)[C@@H](O)C1)C1(c2ccccc2)CCNCC1
InChIInChI=1S/C16H22N2O3/c19-13-10-18(11-14(13)20)15(21)16(6-8-17-9-7-16)12-4-2-1-3-5-12/h1-5,13-14,17,19-20H,6-11H2/t13-,14+
InChIKeyXAWVFFZRMDWNNZ-OKILXGFUSA-N
XLogP-0.13
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methylthiomorpholin-4-yl)-(4-phenylpiperidin-4-yl)methanone
CID 115734108
[(3S)-1-(4-phenylpiperidine-4-carbonyl)pyrrolidin-3-yl]methanesulfonamide
CID 125167123
(1-phenylcyclobutyl)-piperazin-1-ylmethanone
CID 110463899
[(3R)-3-methylpiperazin-1-yl]-(1-phenylcyclopropyl)methanone
CID 81426595
(1-phenylcyclopropyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120996455
(1-methyl-4-phenylpiperidin-4-yl)-piperazin-1-ylmethanone
CID 59716936
4-phenyl-N-piperazin-1-ylpiperidine-4-carboxamide
CID 70118904
[(3R)-3-hydroxypyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 66262419
1-azabicyclo[2.2.2]octane;4-phenylpiperidine-4-carboxylic acid
CID 145196382
[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-(1-phenylcyclopropyl)methanone
CID 102679631
[(3R,4R)-3-hydroxy-4-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 110108383
(1-phenylcyclopentyl)-[(11R)-11-phenyl-3,9-diazaspiro[5.5]undecan-3-yl]methanone
CID 151183103

Frequently Asked Questions

What is the IUPAC name of [(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(4-phenylpiperidin-4-yl)methanone?
The IUPAC name of [(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(4-phenylpiperidin-4-yl)methanone (CID 107220719) is [(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(4-phenylpiperidin-4-yl)methanone.
What is the SMILES notation for [(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(4-phenylpiperidin-4-yl)methanone?
The canonical SMILES for [(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(4-phenylpiperidin-4-yl)methanone is O=C(N1C[C@@H](O)[C@@H](O)C1)C1(c2ccccc2)CCNCC1.
What is the InChIKey of [(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(4-phenylpiperidin-4-yl)methanone?
The InChIKey is XAWVFFZRMDWNNZ-OKILXGFUSA-N. The full InChI is InChI=1S/C16H22N2O3/c19-13-10-18(11-14(13)20)15(21)16(6-8-17-9-7-16)12-4-2-1-3-5-12/h1-5,13-14,17,19-20H,6-11H2/t13-,14+.
What are the key properties of [(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(4-phenylpiperidin-4-yl)methanone?
[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(4-phenylpiperidin-4-yl)methanone has a molecular weight of 290.36 g/mol, XLogP of -0.13, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(4-phenylpiperidin-4-yl)methanone is sourced from PubChem (CID 107220719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).