[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-(4-pyrrolidin-3-ylphenyl)methanone

C21H31N3O2 — CID 56918773

IUPAC[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-(4-pyrrolidin-3-ylphenyl)methanone
SMILESO=C(c1ccc(C2CCNC2)cc1)N1CCC(N2CCC(O)CC2)CC1
InChIInChI=1S/C21H31N3O2/c25-20-8-13-23(14-9-20)19-6-11-24(12-7-19)21(26)17-3-1-16(2-4-17)18-5-10-22-15-18/h1-4,18-20,22,25H,5-15H2
InChIKeyHONRIYBOZBOLFH-UHFFFAOYSA-N
MW357.50 g/mol
LogP1.82
Rot. Bonds3

About [4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-(4-pyrrolidin-3-ylphenyl)methanone

[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-(4-pyrrolidin-3-ylphenyl)methanone (PubChem CID 56918773) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is [4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-(4-pyrrolidin-3-ylphenyl)methanone.

Molecular Properties

Compound Name[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-(4-pyrrolidin-3-ylphenyl)methanone
PubChem CID56918773
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC Name[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-(4-pyrrolidin-3-ylphenyl)methanone
SMILESO=C(c1ccc(C2CCNC2)cc1)N1CCC(N2CCC(O)CC2)CC1
InChIInChI=1S/C21H31N3O2/c25-20-8-13-23(14-9-20)19-6-11-24(12-7-19)21(26)17-3-1-16(2-4-17)18-5-10-22-15-18/h1-4,18-20,22,25H,5-15H2
InChIKeyHONRIYBOZBOLFH-UHFFFAOYSA-N
XLogP1.82
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R,4R)-4-hydroxy-3-(4-phenylpiperidin-1-yl)piperidin-1-yl]-phenylmethanone
CID 10316732
1-(Biphenyl-4-carbonyl)-piperidine-4-carboxylic acid isopropylamide
CID 1004009
1-{[1,1'-Biphenyl]-4-carbonyl}-N-(2-hydroxyethyl)piperidine-4-carboxamide
CID 3153439
1-([1,1'-biphenyl]-4-ylcarbonyl)-N-cyclopentyl-4-piperidinecarboxamide
CID 3155674
[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidino)piperidino]-(3-phenylphenyl)methanone
CID 24817881
4-[[1-[1-(2-methylbenzoyl)piperidin-4-yl]piperidin-4-yl]methyl]-N-propan-2-ylbenzamide
CID 44295888
N-Ethyl-4-{[8-(2-hydroxy-ethyl)-8-aza-bicyclo[3.2.1]oct-3-ylidene]-phenyl-methyl}-benzamide
CID 44307068
[(3R,4R)-4-hydroxy-3-(4-phenylpiperidin-1-yl)piperidin-1-yl]-phenylmethanone;hydrochloride
CID 49861239
[4-(4-Pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 73334264
(4-Piperidin-4-ylpiperidin-1-yl)-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]methanone
CID 73334265
[4-(4-Pyrrolidin-2-ylpiperidine-1-carbonyl)phenyl]-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 73334593
N-(3-hydroxypropyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide
CID 3153440

Frequently Asked Questions

What is the IUPAC name of [4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-(4-pyrrolidin-3-ylphenyl)methanone?
The IUPAC name of [4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-(4-pyrrolidin-3-ylphenyl)methanone (CID 56918773) is [4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-(4-pyrrolidin-3-ylphenyl)methanone.
What is the SMILES notation for [4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-(4-pyrrolidin-3-ylphenyl)methanone?
The canonical SMILES for [4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-(4-pyrrolidin-3-ylphenyl)methanone is O=C(c1ccc(C2CCNC2)cc1)N1CCC(N2CCC(O)CC2)CC1.
What is the InChIKey of [4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-(4-pyrrolidin-3-ylphenyl)methanone?
The InChIKey is HONRIYBOZBOLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c25-20-8-13-23(14-9-20)19-6-11-24(12-7-19)21(26)17-3-1-16(2-4-17)18-5-10-22-15-18/h1-4,18-20,22,25H,5-15H2.
What are the key properties of [4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-(4-pyrrolidin-3-ylphenyl)methanone?
[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-(4-pyrrolidin-3-ylphenyl)methanone has a molecular weight of 357.50 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-(4-pyrrolidin-3-ylphenyl)methanone is sourced from PubChem (CID 56918773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).