[3-[(4-hydroxyphenyl)methyl]pyrrolidin-1-yl]-[1-(pyridine-4-carbonyl)piperidin-4-yl]methanone

C23H27N3O3 — CID 166623326

IUPAC[3-[(4-hydroxyphenyl)methyl]pyrrolidin-1-yl]-[1-(pyridine-4-carbonyl)piperidin-4-yl]methanone
SMILESO=C(c1ccncc1)N1CCC(C(=O)N2CCC(Cc3ccc(O)cc3)C2)CC1
InChIInChI=1S/C23H27N3O3/c27-21-3-1-17(2-4-21)15-18-7-12-26(16-18)23(29)20-8-13-25(14-9-20)22(28)19-5-10-24-11-6-19/h1-6,10-11,18,20,27H,7-9,12-16H2
InChIKeySJJLOAIBUKJHHU-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.73
Rot. Bonds4

About [3-[(4-hydroxyphenyl)methyl]pyrrolidin-1-yl]-[1-(pyridine-4-carbonyl)piperidin-4-yl]methanone

[3-[(4-hydroxyphenyl)methyl]pyrrolidin-1-yl]-[1-(pyridine-4-carbonyl)piperidin-4-yl]methanone (PubChem CID 166623326) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is [3-[(4-hydroxyphenyl)methyl]pyrrolidin-1-yl]-[1-(pyridine-4-carbonyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name[3-[(4-hydroxyphenyl)methyl]pyrrolidin-1-yl]-[1-(pyridine-4-carbonyl)piperidin-4-yl]methanone
PubChem CID166623326
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name[3-[(4-hydroxyphenyl)methyl]pyrrolidin-1-yl]-[1-(pyridine-4-carbonyl)piperidin-4-yl]methanone
SMILESO=C(c1ccncc1)N1CCC(C(=O)N2CCC(Cc3ccc(O)cc3)C2)CC1
InChIInChI=1S/C23H27N3O3/c27-21-3-1-17(2-4-21)15-18-7-12-26(16-18)23(29)20-8-13-25(14-9-20)22(28)19-5-10-24-11-6-19/h1-6,10-11,18,20,27H,7-9,12-16H2
InChIKeySJJLOAIBUKJHHU-UHFFFAOYSA-N
XLogP2.73
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-[(4-hydroxyphenyl)methyl]pyrrolidin-1-yl]-[1-(pyridine-4-carbonyl)piperidin-4-yl]methanone with MolForge

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Related Compounds

[4-[(dimethylamino)methyl]phenyl]-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone
CID 110102879
cyclobutyl-[(3S)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone
CID 97133116
(3-benzylpyrrolidin-1-yl)-cyclobutylmethanone
CID 110874334
4-[[(3R)-1-(1,1-dioxothiane-4-carbonyl)pyrrolidin-3-yl]methyl]benzoic acid
CID 95889126
(3,5-difluorophenyl)-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone
CID 110102830
3-[(4-fluorophenyl)methyl]-N-pyridin-4-ylpyrrolidine-1-carboxamide
CID 138996907
4-[3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide
CID 70718118
pyridin-4-yl-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 110096200
(3-fluoro-2-pyridinyl)-[3-[(4-hydroxyphenyl)methyl]pyrrolidin-1-yl]methanone
CID 166615059
2-[1-(pyridine-4-carbonyl)piperidin-4-yl]acetic acid
CID 79615008
[2-(dimethylamino)pyrimidin-5-yl]-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone
CID 110102849
(3-aminopyrrolidin-1-yl)-(1-pyridin-4-ylpiperidin-4-yl)methanone;hydrochloride
CID 22721764

Frequently Asked Questions

What is the IUPAC name of [3-[(4-hydroxyphenyl)methyl]pyrrolidin-1-yl]-[1-(pyridine-4-carbonyl)piperidin-4-yl]methanone?
The IUPAC name of [3-[(4-hydroxyphenyl)methyl]pyrrolidin-1-yl]-[1-(pyridine-4-carbonyl)piperidin-4-yl]methanone (CID 166623326) is [3-[(4-hydroxyphenyl)methyl]pyrrolidin-1-yl]-[1-(pyridine-4-carbonyl)piperidin-4-yl]methanone.
What is the SMILES notation for [3-[(4-hydroxyphenyl)methyl]pyrrolidin-1-yl]-[1-(pyridine-4-carbonyl)piperidin-4-yl]methanone?
The canonical SMILES for [3-[(4-hydroxyphenyl)methyl]pyrrolidin-1-yl]-[1-(pyridine-4-carbonyl)piperidin-4-yl]methanone is O=C(c1ccncc1)N1CCC(C(=O)N2CCC(Cc3ccc(O)cc3)C2)CC1.
What is the InChIKey of [3-[(4-hydroxyphenyl)methyl]pyrrolidin-1-yl]-[1-(pyridine-4-carbonyl)piperidin-4-yl]methanone?
The InChIKey is SJJLOAIBUKJHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c27-21-3-1-17(2-4-21)15-18-7-12-26(16-18)23(29)20-8-13-25(14-9-20)22(28)19-5-10-24-11-6-19/h1-6,10-11,18,20,27H,7-9,12-16H2.
What are the key properties of [3-[(4-hydroxyphenyl)methyl]pyrrolidin-1-yl]-[1-(pyridine-4-carbonyl)piperidin-4-yl]methanone?
[3-[(4-hydroxyphenyl)methyl]pyrrolidin-1-yl]-[1-(pyridine-4-carbonyl)piperidin-4-yl]methanone has a molecular weight of 393.49 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-hydroxyphenyl)methyl]pyrrolidin-1-yl]-[1-(pyridine-4-carbonyl)piperidin-4-yl]methanone is sourced from PubChem (CID 166623326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).