N-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-4-piperidin-3-ylbenzamide

C24H31N3O2 — CID 72845146

IUPACN-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-4-piperidin-3-ylbenzamide
SMILESO=C(NC1CCN(Cc2cccc(O)c2)CC1)c1ccc(C2CCCNC2)cc1
InChIInChI=1S/C24H31N3O2/c28-23-5-1-3-18(15-23)17-27-13-10-22(11-14-27)26-24(29)20-8-6-19(7-9-20)21-4-2-12-25-16-21/h1,3,5-9,15,21-22,25,28H,2,4,10-14,16-17H2,(H,26,29)
InChIKeyMGQBFHKEZWAYCH-UHFFFAOYSA-N
MW393.53 g/mol
LogP3.25
Rot. Bonds5

About N-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-4-piperidin-3-ylbenzamide

N-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-4-piperidin-3-ylbenzamide (PubChem CID 72845146) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is N-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-4-piperidin-3-ylbenzamide.

Molecular Properties

Compound NameN-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-4-piperidin-3-ylbenzamide
PubChem CID72845146
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC NameN-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-4-piperidin-3-ylbenzamide
SMILESO=C(NC1CCN(Cc2cccc(O)c2)CC1)c1ccc(C2CCCNC2)cc1
InChIInChI=1S/C24H31N3O2/c28-23-5-1-3-18(15-23)17-27-13-10-22(11-14-27)26-24(29)20-8-6-19(7-9-20)21-4-2-12-25-16-21/h1,3,5-9,15,21-22,25,28H,2,4,10-14,16-17H2,(H,26,29)
InChIKeyMGQBFHKEZWAYCH-UHFFFAOYSA-N
XLogP3.25
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclobutyl-4-[(3R)-piperidin-3-yl]benzamide
CID 97190592
5-cyclohexyl-N-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide
CID 70716700
3-(3-hydroxy-3-methylbut-1-ynyl)-N-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]benzamide
CID 131915003
3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-pyrrolidin-3-ylbenzamide
CID 119452950
N-cyclohexyl-3-piperidin-3-ylbenzamide;hydrochloride
CID 172654417
N-(1-benzylpiperidin-4-yl)-4-bromobenzamide
CID 1103952
N-(2-phenylmethoxyethyl)-4-[(3S)-piperidin-3-yl]benzamide
CID 99928855
N-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-1,6-dimethyl-4-oxopyridine-2-carboxamide
CID 118772051
[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-[4-[(3S)-pyrrolidin-3-yl]phenyl]methanone
CID 95876601
1-(1-benzylpiperidin-4-yl)-3-[2-(3-hydroxyphenyl)ethyl]urea
CID 60602821
N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide;dihydrochloride
CID 119847231
3-[(4-piperidin-3-ylphenoxy)methyl]benzoic acid
CID 117100164

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-4-piperidin-3-ylbenzamide?
The IUPAC name of N-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-4-piperidin-3-ylbenzamide (CID 72845146) is N-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-4-piperidin-3-ylbenzamide.
What is the SMILES notation for N-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-4-piperidin-3-ylbenzamide?
The canonical SMILES for N-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-4-piperidin-3-ylbenzamide is O=C(NC1CCN(Cc2cccc(O)c2)CC1)c1ccc(C2CCCNC2)cc1.
What is the InChIKey of N-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-4-piperidin-3-ylbenzamide?
The InChIKey is MGQBFHKEZWAYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c28-23-5-1-3-18(15-23)17-27-13-10-22(11-14-27)26-24(29)20-8-6-19(7-9-20)21-4-2-12-25-16-21/h1,3,5-9,15,21-22,25,28H,2,4,10-14,16-17H2,(H,26,29).
What are the key properties of N-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-4-piperidin-3-ylbenzamide?
N-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-4-piperidin-3-ylbenzamide has a molecular weight of 393.53 g/mol, XLogP of 3.25, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-4-piperidin-3-ylbenzamide is sourced from PubChem (CID 72845146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).