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

C21H31N3O2 — CID 56884957

IUPAC[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-(3-pyrrolidin-3-ylphenyl)methanone
SMILESO=C(c1cccc(C2CCNC2)c1)N1CCC(N2CCC(O)CC2)CC1
InChIInChI=1S/C21H31N3O2/c25-20-7-12-23(13-8-20)19-5-10-24(11-6-19)21(26)17-3-1-2-16(14-17)18-4-9-22-15-18/h1-3,14,18-20,22,25H,4-13,15H2
InChIKeyHCLQEAQVGFBKOV-UHFFFAOYSA-N
MW357.50 g/mol
LogP1.82
Rot. Bonds3

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

[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-(3-pyrrolidin-3-ylphenyl)methanone (PubChem CID 56884957) 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]-(3-pyrrolidin-3-ylphenyl)methanone.

Molecular Properties

Compound Name[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-(3-pyrrolidin-3-ylphenyl)methanone
PubChem CID56884957
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC Name[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-(3-pyrrolidin-3-ylphenyl)methanone
SMILESO=C(c1cccc(C2CCNC2)c1)N1CCC(N2CCC(O)CC2)CC1
InChIInChI=1S/C21H31N3O2/c25-20-7-12-23(13-8-20)19-5-10-24(11-6-19)21(26)17-3-1-2-16(14-17)18-4-9-22-15-18/h1-3,14,18-20,22,25H,4-13,15H2
InChIKeyHCLQEAQVGFBKOV-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

3-[(1R,5S)-8-[3-[2-ethylbutyl-(2-hydroxyacetyl)amino]propyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide
CID 25181445
3-[(1S,5R)-8-[2-[benzyl-(2-hydroxyacetyl)amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide
CID 67183680
2-(Pyrrolidine-3-carbonyl)-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-10-one
CID 24771959
3-methyl-N-(8-methyl-8-azabicyclo[3.2.1]oct-3-yl)benzamide
CID 19582706
[(3R,4R)-4-hydroxy-3-(4-phenylpiperidin-1-yl)piperidin-1-yl]-phenylmethanone
CID 10316732
[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidino)piperidino]-(3-phenylphenyl)methanone
CID 24817881
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
N-(2-((3S,4S)-4-hydroxy-1-(cis-3-phenylcyclopentyl)pyrrolidin-3-ylamino)-2-oxoethyl)-3-(trifluoromethyl)benzamide
CID 52942863
N-(2-((3S,4S)-4-hydroxy-1-(cis-4-phenylcyclohexyl)pyrrolidin-3-ylamino)-2-oxoethyl)-3-(trifluoromethyl)benzamide
CID 52943756
N-(3-hydroxypropyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide
CID 3153440
N-{1-[(4-Hydroxypiperidin-1-yl)carbonyl]-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl}benzenecarboxamide
CID 66761314

Frequently Asked Questions

What is the IUPAC name of [4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-(3-pyrrolidin-3-ylphenyl)methanone?
The IUPAC name of [4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-(3-pyrrolidin-3-ylphenyl)methanone (CID 56884957) is [4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-(3-pyrrolidin-3-ylphenyl)methanone.
What is the SMILES notation for [4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-(3-pyrrolidin-3-ylphenyl)methanone?
The canonical SMILES for [4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-(3-pyrrolidin-3-ylphenyl)methanone is O=C(c1cccc(C2CCNC2)c1)N1CCC(N2CCC(O)CC2)CC1.
What is the InChIKey of [4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-(3-pyrrolidin-3-ylphenyl)methanone?
The InChIKey is HCLQEAQVGFBKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c25-20-7-12-23(13-8-20)19-5-10-24(11-6-19)21(26)17-3-1-2-16(14-17)18-4-9-22-15-18/h1-3,14,18-20,22,25H,4-13,15H2.
What are the key properties of [4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-(3-pyrrolidin-3-ylphenyl)methanone?
[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-(3-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]-(3-pyrrolidin-3-ylphenyl)methanone is sourced from PubChem (CID 56884957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).