(3-hydroxypiperidin-1-yl)-(1-propylpyrrol-2-yl)methanone

C13H20N2O2 — CID 43639083

IUPAC(3-hydroxypiperidin-1-yl)-(1-propylpyrrol-2-yl)methanone
SMILESCCCn1cccc1C(=O)N1CCCC(O)C1
InChIInChI=1S/C13H20N2O2/c1-2-7-14-8-4-6-12(14)13(17)15-9-3-5-11(16)10-15/h4,6,8,11,16H,2-3,5,7,9-10H2,1H3
InChIKeyPPIXHVHKBPQVGA-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.50
Rot. Bonds3

About (3-hydroxypiperidin-1-yl)-(1-propylpyrrol-2-yl)methanone

(3-hydroxypiperidin-1-yl)-(1-propylpyrrol-2-yl)methanone (PubChem CID 43639083) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is (3-hydroxypiperidin-1-yl)-(1-propylpyrrol-2-yl)methanone.

Molecular Properties

Compound Name(3-hydroxypiperidin-1-yl)-(1-propylpyrrol-2-yl)methanone
PubChem CID43639083
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name(3-hydroxypiperidin-1-yl)-(1-propylpyrrol-2-yl)methanone
SMILESCCCn1cccc1C(=O)N1CCCC(O)C1
InChIInChI=1S/C13H20N2O2/c1-2-7-14-8-4-6-12(14)13(17)15-9-3-5-11(16)10-15/h4,6,8,11,16H,2-3,5,7,9-10H2,1H3
InChIKeyPPIXHVHKBPQVGA-UHFFFAOYSA-N
XLogP1.50
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(1-propylpyrrole-2-carbonyl)piperidine-3-carboxylic acid
CID 81120632
[3-(methylamino)piperidin-1-yl]-(1-propylpyrrol-2-yl)methanone
CID 62536550
[(3S)-3-aminopyrrolidin-1-yl]-(1-propylpyrrol-2-yl)methanone
CID 94339941
(4-bromo-1-propylpyrrol-2-yl)-(3-hydroxypiperidin-1-yl)methanone
CID 43639912
(4-amino-1-propylpyrrol-2-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107211714
2-[2-(3-hydroxypyrrolidine-1-carbonyl)pyrrol-1-yl]acetic acid
CID 79331961
piperazin-1-yl-(1-propylpyrrol-2-yl)methanone
CID 43639000
2-[1-(1-propylpyrrole-2-carbonyl)piperidin-4-yl]acetic acid
CID 79615657
(4-chloro-1-propylpyrrol-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66291483
1-(1-ethylpyrrole-2-carbonyl)piperidine-3-carboxylic acid
CID 43638872
(1-ethylpyrrol-2-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 43638941
(3-amino-5-methylpiperidin-1-yl)-(1-propylpyrrol-2-yl)methanone
CID 79994432

Frequently Asked Questions

What is the IUPAC name of (3-hydroxypiperidin-1-yl)-(1-propylpyrrol-2-yl)methanone?
The IUPAC name of (3-hydroxypiperidin-1-yl)-(1-propylpyrrol-2-yl)methanone (CID 43639083) is (3-hydroxypiperidin-1-yl)-(1-propylpyrrol-2-yl)methanone.
What is the SMILES notation for (3-hydroxypiperidin-1-yl)-(1-propylpyrrol-2-yl)methanone?
The canonical SMILES for (3-hydroxypiperidin-1-yl)-(1-propylpyrrol-2-yl)methanone is CCCn1cccc1C(=O)N1CCCC(O)C1.
What is the InChIKey of (3-hydroxypiperidin-1-yl)-(1-propylpyrrol-2-yl)methanone?
The InChIKey is PPIXHVHKBPQVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-2-7-14-8-4-6-12(14)13(17)15-9-3-5-11(16)10-15/h4,6,8,11,16H,2-3,5,7,9-10H2,1H3.
What are the key properties of (3-hydroxypiperidin-1-yl)-(1-propylpyrrol-2-yl)methanone?
(3-hydroxypiperidin-1-yl)-(1-propylpyrrol-2-yl)methanone has a molecular weight of 236.31 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxypiperidin-1-yl)-(1-propylpyrrol-2-yl)methanone is sourced from PubChem (CID 43639083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).