(1-ethylpyrrol-2-yl)-(4-hydroxypiperidin-1-yl)methanone

C12H18N2O2 — CID 43638941

IUPAC(1-ethylpyrrol-2-yl)-(4-hydroxypiperidin-1-yl)methanone
SMILESCCn1cccc1C(=O)N1CCC(O)CC1
InChIInChI=1S/C12H18N2O2/c1-2-13-7-3-4-11(13)12(16)14-8-5-10(15)6-9-14/h3-4,7,10,15H,2,5-6,8-9H2,1H3
InChIKeyGAHIPPMNXLVSQT-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.10
Rot. Bonds2

About (1-ethylpyrrol-2-yl)-(4-hydroxypiperidin-1-yl)methanone

(1-ethylpyrrol-2-yl)-(4-hydroxypiperidin-1-yl)methanone (PubChem CID 43638941) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is (1-ethylpyrrol-2-yl)-(4-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(1-ethylpyrrol-2-yl)-(4-hydroxypiperidin-1-yl)methanone
PubChem CID43638941
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name(1-ethylpyrrol-2-yl)-(4-hydroxypiperidin-1-yl)methanone
SMILESCCn1cccc1C(=O)N1CCC(O)CC1
InChIInChI=1S/C12H18N2O2/c1-2-13-7-3-4-11(13)12(16)14-8-5-10(15)6-9-14/h3-4,7,10,15H,2,5-6,8-9H2,1H3
InChIKeyGAHIPPMNXLVSQT-UHFFFAOYSA-N
XLogP1.10
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(ethylaminomethyl)piperidin-1-yl]-(1-ethylpyrrol-2-yl)methanone
CID 80552636
[3-(1-aminoethyl)pyrrolidin-1-yl]-(1-ethylpyrrol-2-yl)methanone
CID 103975815
1-(1-ethylpyrrole-2-carbonyl)piperidine-3-carboxylic acid
CID 43638872
3-[4-(1-ethylpyrrole-2-carbonyl)piperazin-1-yl]propanoic acid
CID 43638916
2-[2-(3-hydroxypyrrolidine-1-carbonyl)pyrrol-1-yl]acetic acid
CID 79331961
1-(1-ethylpyrrole-2-carbonyl)-4-propylpiperidine-4-carboxylic acid
CID 63125677
2-[1-(1-propylpyrrole-2-carbonyl)piperidin-4-yl]acetic acid
CID 79615657
(3-hydroxypiperidin-1-yl)-(1-propylpyrrol-2-yl)methanone
CID 43639083
1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79324531
(1-ethylpyrrol-2-yl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone
CID 63240558
[(3S)-3-aminopyrrolidin-1-yl]-(1-propylpyrrol-2-yl)methanone
CID 94339941
3-[1-(1-ethylpyrrole-2-carbonyl)piperidin-3-yl]butanoic acid
CID 81042260

Frequently Asked Questions

What is the IUPAC name of (1-ethylpyrrol-2-yl)-(4-hydroxypiperidin-1-yl)methanone?
The IUPAC name of (1-ethylpyrrol-2-yl)-(4-hydroxypiperidin-1-yl)methanone (CID 43638941) is (1-ethylpyrrol-2-yl)-(4-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for (1-ethylpyrrol-2-yl)-(4-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for (1-ethylpyrrol-2-yl)-(4-hydroxypiperidin-1-yl)methanone is CCn1cccc1C(=O)N1CCC(O)CC1.
What is the InChIKey of (1-ethylpyrrol-2-yl)-(4-hydroxypiperidin-1-yl)methanone?
The InChIKey is GAHIPPMNXLVSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-2-13-7-3-4-11(13)12(16)14-8-5-10(15)6-9-14/h3-4,7,10,15H,2,5-6,8-9H2,1H3.
What are the key properties of (1-ethylpyrrol-2-yl)-(4-hydroxypiperidin-1-yl)methanone?
(1-ethylpyrrol-2-yl)-(4-hydroxypiperidin-1-yl)methanone has a molecular weight of 222.29 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpyrrol-2-yl)-(4-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 43638941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).