[5-[4-(2-hydroxy-2-methylpropyl)piperidine-1-carbonyl]-1H-pyrrol-3-yl]-phenylmethanone

C21H26N2O3 — CID 70848896

IUPAC[5-[4-(2-hydroxy-2-methylpropyl)piperidine-1-carbonyl]-1H-pyrrol-3-yl]-phenylmethanone
SMILESCC(C)(O)CC1CCN(C(=O)c2cc(C(=O)c3ccccc3)c[nH]2)CC1
InChIInChI=1S/C21H26N2O3/c1-21(2,26)13-15-8-10-23(11-9-15)20(25)18-12-17(14-22-18)19(24)16-6-4-3-5-7-16/h3-7,12,14-15,22,26H,8-11,13H2,1-2H3
InChIKeyJNDQKLIDWLUFHU-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.26
Rot. Bonds5

About [5-[4-(2-hydroxy-2-methylpropyl)piperidine-1-carbonyl]-1H-pyrrol-3-yl]-phenylmethanone

[5-[4-(2-hydroxy-2-methylpropyl)piperidine-1-carbonyl]-1H-pyrrol-3-yl]-phenylmethanone (PubChem CID 70848896) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is [5-[4-(2-hydroxy-2-methylpropyl)piperidine-1-carbonyl]-1H-pyrrol-3-yl]-phenylmethanone.

Molecular Properties

Compound Name[5-[4-(2-hydroxy-2-methylpropyl)piperidine-1-carbonyl]-1H-pyrrol-3-yl]-phenylmethanone
PubChem CID70848896
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name[5-[4-(2-hydroxy-2-methylpropyl)piperidine-1-carbonyl]-1H-pyrrol-3-yl]-phenylmethanone
SMILESCC(C)(O)CC1CCN(C(=O)c2cc(C(=O)c3ccccc3)c[nH]2)CC1
InChIInChI=1S/C21H26N2O3/c1-21(2,26)13-15-8-10-23(11-9-15)20(25)18-12-17(14-22-18)19(24)16-6-4-3-5-7-16/h3-7,12,14-15,22,26H,8-11,13H2,1-2H3
InChIKeyJNDQKLIDWLUFHU-UHFFFAOYSA-N
XLogP3.26
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [5-[4-(2-hydroxy-2-methylpropyl)piperidine-1-carbonyl]-1H-pyrrol-3-yl]-phenylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[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]-(4-pyridin-3-yl-1H-pyrrol-2-yl)methanone
CID 70848827
3-[4-(2-hydroxy-2-methylpropyl)piperidine-1-carbonyl]-2H-isoquinolin-1-one
CID 70848758
1-[5-[4-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrrol-3-yl]ethanone
CID 54878244
[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-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]methanone
CID 70848735
4-benzoyl-1H-pyrrole-2-carboxylic acid
CID 2763446
1-(4-benzoyl-1H-pyrrole-2-carbonyl)-4,5-dihydroxypiperidine-3-carboxylic acid
CID 166337102
[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-[3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-5-yl]methanone
CID 70848732
[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone
CID 70848755
[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

Frequently Asked Questions

What is the IUPAC name of [5-[4-(2-hydroxy-2-methylpropyl)piperidine-1-carbonyl]-1H-pyrrol-3-yl]-phenylmethanone?
The IUPAC name of [5-[4-(2-hydroxy-2-methylpropyl)piperidine-1-carbonyl]-1H-pyrrol-3-yl]-phenylmethanone (CID 70848896) is [5-[4-(2-hydroxy-2-methylpropyl)piperidine-1-carbonyl]-1H-pyrrol-3-yl]-phenylmethanone.
What is the SMILES notation for [5-[4-(2-hydroxy-2-methylpropyl)piperidine-1-carbonyl]-1H-pyrrol-3-yl]-phenylmethanone?
The canonical SMILES for [5-[4-(2-hydroxy-2-methylpropyl)piperidine-1-carbonyl]-1H-pyrrol-3-yl]-phenylmethanone is CC(C)(O)CC1CCN(C(=O)c2cc(C(=O)c3ccccc3)c[nH]2)CC1.
What is the InChIKey of [5-[4-(2-hydroxy-2-methylpropyl)piperidine-1-carbonyl]-1H-pyrrol-3-yl]-phenylmethanone?
The InChIKey is JNDQKLIDWLUFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-21(2,26)13-15-8-10-23(11-9-15)20(25)18-12-17(14-22-18)19(24)16-6-4-3-5-7-16/h3-7,12,14-15,22,26H,8-11,13H2,1-2H3.
What are the key properties of [5-[4-(2-hydroxy-2-methylpropyl)piperidine-1-carbonyl]-1H-pyrrol-3-yl]-phenylmethanone?
[5-[4-(2-hydroxy-2-methylpropyl)piperidine-1-carbonyl]-1H-pyrrol-3-yl]-phenylmethanone has a molecular weight of 354.45 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-(2-hydroxy-2-methylpropyl)piperidine-1-carbonyl]-1H-pyrrol-3-yl]-phenylmethanone is sourced from PubChem (CID 70848896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).