(5-ethyl-1H-pyrrol-2-yl)-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]methanone

C15H24N2O2 — CID 70723659

IUPAC(5-ethyl-1H-pyrrol-2-yl)-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]methanone
SMILESCCc1ccc(C(=O)N2CC[C@](C)(O)C(C)(C)C2)[nH]1
InChIInChI=1S/C15H24N2O2/c1-5-11-6-7-12(16-11)13(18)17-9-8-15(4,19)14(2,3)10-17/h6-7,16,19H,5,8-10H2,1-4H3/t15-/m0/s1
InChIKeyXGWNNKKNACGKLW-HNNXBMFYSA-N
MW264.37 g/mol
LogP2.20
Rot. Bonds2

About (5-ethyl-1H-pyrrol-2-yl)-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]methanone

(5-ethyl-1H-pyrrol-2-yl)-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]methanone (PubChem CID 70723659) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is (5-ethyl-1H-pyrrol-2-yl)-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-ethyl-1H-pyrrol-2-yl)-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]methanone
PubChem CID70723659
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name(5-ethyl-1H-pyrrol-2-yl)-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]methanone
SMILESCCc1ccc(C(=O)N2CC[C@](C)(O)C(C)(C)C2)[nH]1
InChIInChI=1S/C15H24N2O2/c1-5-11-6-7-12(16-11)13(18)17-9-8-15(4,19)14(2,3)10-17/h6-7,16,19H,5,8-10H2,1-4H3/t15-/m0/s1
InChIKeyXGWNNKKNACGKLW-HNNXBMFYSA-N
XLogP2.20
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methylpiperazine-1-carbonyl)-4,5,6,7-tetrahydro-1H-indole
CID 68081305
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-N-[3-(diethylamino)propyl]-5-phenyl-1H-pyrrole-2-carboxamide
CID 44396269
N-[(2S)-1-(4-hydroxypiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide
CID 44450766
7-(2,2-dimethylpropyl)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)carbonyl]-2,7-diazaspiro[4.5]decane
CID 45229581
2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 46330407
2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-N-[(2-fluorophenyl)methyl]acetamide
CID 46330427
2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-N-[(3-fluorophenyl)methyl]acetamide
CID 46330434
6-methyl-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]pyridine-2-carboxamide
CID 47312268
(3R*,4S*)-1-[(5-ethyl-1H-pyrrol-2-yl)carbonyl]-3,4-dimethylpiperidin-4-ol
CID 70734422
2-[2-(dimethylamino)ethyl]-9-[(5-ethyl-1H-pyrrol-2-yl)carbonyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72867065
1-[(5-ethyl-1H-pyrrol-2-yl)carbonyl]-3,3-dimethyl-4-(morpholin-4-ylmethyl)piperidin-4-ol
CID 72897474
tert-butyl N-[2-[(3,5-dimethyl-1H-pyrrole-2-carbonyl)-methylamino]ethyl]-N-methylcarbamate
CID 75438764

Frequently Asked Questions

What is the IUPAC name of (5-ethyl-1H-pyrrol-2-yl)-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]methanone?
The IUPAC name of (5-ethyl-1H-pyrrol-2-yl)-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]methanone (CID 70723659) is (5-ethyl-1H-pyrrol-2-yl)-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]methanone.
What is the SMILES notation for (5-ethyl-1H-pyrrol-2-yl)-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]methanone?
The canonical SMILES for (5-ethyl-1H-pyrrol-2-yl)-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]methanone is CCc1ccc(C(=O)N2CC[C@](C)(O)C(C)(C)C2)[nH]1.
What is the InChIKey of (5-ethyl-1H-pyrrol-2-yl)-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]methanone?
The InChIKey is XGWNNKKNACGKLW-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-5-11-6-7-12(16-11)13(18)17-9-8-15(4,19)14(2,3)10-17/h6-7,16,19H,5,8-10H2,1-4H3/t15-/m0/s1.
What are the key properties of (5-ethyl-1H-pyrrol-2-yl)-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]methanone?
(5-ethyl-1H-pyrrol-2-yl)-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]methanone has a molecular weight of 264.37 g/mol, XLogP of 2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-1H-pyrrol-2-yl)-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]methanone is sourced from PubChem (CID 70723659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).