[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-(4-pyridin-3-yl-1H-pyrrol-2-yl)methanone

C19H25N3O2 — CID 70848827

IUPAC[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-(4-pyridin-3-yl-1H-pyrrol-2-yl)methanone
SMILESCC(C)(O)CC1CCN(C(=O)c2cc(-c3cccnc3)c[nH]2)CC1
InChIInChI=1S/C19H25N3O2/c1-19(2,24)11-14-5-8-22(9-6-14)18(23)17-10-16(13-21-17)15-4-3-7-20-12-15/h3-4,7,10,12-14,21,24H,5-6,8-9,11H2,1-2H3
InChIKeyUZMCEXOSZODNSD-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.09
Rot. Bonds4

About [4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-(4-pyridin-3-yl-1H-pyrrol-2-yl)methanone

[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-(4-pyridin-3-yl-1H-pyrrol-2-yl)methanone (PubChem CID 70848827) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is [4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-(4-pyridin-3-yl-1H-pyrrol-2-yl)methanone.

Molecular Properties

Compound Name[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-(4-pyridin-3-yl-1H-pyrrol-2-yl)methanone
PubChem CID70848827
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-(4-pyridin-3-yl-1H-pyrrol-2-yl)methanone
SMILESCC(C)(O)CC1CCN(C(=O)c2cc(-c3cccnc3)c[nH]2)CC1
InChIInChI=1S/C19H25N3O2/c1-19(2,24)11-14-5-8-22(9-6-14)18(23)17-10-16(13-21-17)15-4-3-7-20-12-15/h3-4,7,10,12-14,21,24H,5-6,8-9,11H2,1-2H3
InChIKeyUZMCEXOSZODNSD-UHFFFAOYSA-N
XLogP3.09
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[5-[4-(2-hydroxy-2-methylpropyl)piperidine-1-carbonyl]-1H-pyrrol-3-yl]-phenylmethanone
CID 70848896
[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methanone
CID 46910066
[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-(3-pyridin-2-yl-1H-pyrazol-5-yl)methanone
CID 70848684
[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-[3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]methanone
CID 70848735
[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-[3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-5-yl]methanone
CID 70848732
3-[4-(2-hydroxy-2-methylpropyl)piperidine-1-carbonyl]-2H-isoquinolin-1-one
CID 70848758
[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-[3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methanone
CID 46910065
(5-amino-1H-indol-2-yl)-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone
CID 59529905
[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-(5-methoxy-1H-pyrrolo[2,3-c]pyridin-2-yl)methanone
CID 46909814
1H-benzimidazol-2-yl-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone
CID 46909812
(5,6-difluoro-1H-indol-2-yl)-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone
CID 70848386
[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone
CID 70848747

Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-(4-pyridin-3-yl-1H-pyrrol-2-yl)methanone?
The IUPAC name of [4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-(4-pyridin-3-yl-1H-pyrrol-2-yl)methanone (CID 70848827) is [4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-(4-pyridin-3-yl-1H-pyrrol-2-yl)methanone.
What is the SMILES notation for [4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-(4-pyridin-3-yl-1H-pyrrol-2-yl)methanone?
The canonical SMILES for [4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-(4-pyridin-3-yl-1H-pyrrol-2-yl)methanone is CC(C)(O)CC1CCN(C(=O)c2cc(-c3cccnc3)c[nH]2)CC1.
What is the InChIKey of [4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-(4-pyridin-3-yl-1H-pyrrol-2-yl)methanone?
The InChIKey is UZMCEXOSZODNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-19(2,24)11-14-5-8-22(9-6-14)18(23)17-10-16(13-21-17)15-4-3-7-20-12-15/h3-4,7,10,12-14,21,24H,5-6,8-9,11H2,1-2H3.
What are the key properties of [4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-(4-pyridin-3-yl-1H-pyrrol-2-yl)methanone?
[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-(4-pyridin-3-yl-1H-pyrrol-2-yl)methanone has a molecular weight of 327.43 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-(4-pyridin-3-yl-1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 70848827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).