(1-cyclopropylpyrrol-2-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone

C14H20N2O2 — CID 114680510

IUPAC(1-cyclopropylpyrrol-2-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
SMILESCC1CN(C(=O)c2cccn2C2CC2)CCC1O
InChIInChI=1S/C14H20N2O2/c1-10-9-15(8-6-13(10)17)14(18)12-3-2-7-16(12)11-4-5-11/h2-3,7,10-11,13,17H,4-6,8-9H2,1H3
InChIKeySZQSZIJUAKMLIM-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.67
Rot. Bonds2

About (1-cyclopropylpyrrol-2-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone

(1-cyclopropylpyrrol-2-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone (PubChem CID 114680510) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (1-cyclopropylpyrrol-2-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(1-cyclopropylpyrrol-2-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
PubChem CID114680510
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(1-cyclopropylpyrrol-2-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
SMILESCC1CN(C(=O)c2cccn2C2CC2)CCC1O
InChIInChI=1S/C14H20N2O2/c1-10-9-15(8-6-13(10)17)14(18)12-3-2-7-16(12)11-4-5-11/h2-3,7,10-11,13,17H,4-6,8-9H2,1H3
InChIKeySZQSZIJUAKMLIM-UHFFFAOYSA-N
XLogP1.67
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-dimethylpiperidin-1-yl)-(1-piperidin-4-ylpyrrol-2-yl)methanone
CID 62716093
(3,4-dimethylpiperazin-1-yl)-(1-piperidin-4-ylpyrrol-2-yl)methanone
CID 63634555
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1-piperidin-4-ylpyrrol-2-yl)methanone
CID 115965184
(1-cyclopropylpyrrol-2-yl)-[(3R)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone
CID 97124412
3-[1-(1-cyclopropylpyrrole-2-carbonyl)piperidin-4-yl]propanoic acid
CID 62217489
(1-cyclopropylpyrrol-2-yl)-(6-hydroxy-4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone
CID 74244984
2-[1-(1-cyclopropylpyrrole-2-carbonyl)piperidin-3-yl]acetic acid
CID 62689740
azepan-1-yl-(1-piperidin-4-ylpyrrol-2-yl)methanone
CID 62716935
(1-cyclopropylpyrrol-2-yl)-(2,5-dimethylpiperazin-1-yl)methanone
CID 64979925
1-(1-cyclopropylpyrrole-2-carbonyl)-4-ethylpiperidine-4-carboxylic acid
CID 63125271
(4-hydroxy-3-methylpiperidin-1-yl)-(4-pyrazol-1-ylphenyl)methanone
CID 114680189
morpholin-4-yl-(1-piperidin-4-ylpyrrol-2-yl)methanone
CID 62715735

Frequently Asked Questions

What is the IUPAC name of (1-cyclopropylpyrrol-2-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone?
The IUPAC name of (1-cyclopropylpyrrol-2-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone (CID 114680510) is (1-cyclopropylpyrrol-2-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (1-cyclopropylpyrrol-2-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone?
The canonical SMILES for (1-cyclopropylpyrrol-2-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone is CC1CN(C(=O)c2cccn2C2CC2)CCC1O.
What is the InChIKey of (1-cyclopropylpyrrol-2-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone?
The InChIKey is SZQSZIJUAKMLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-9-15(8-6-13(10)17)14(18)12-3-2-7-16(12)11-4-5-11/h2-3,7,10-11,13,17H,4-6,8-9H2,1H3.
What are the key properties of (1-cyclopropylpyrrol-2-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone?
(1-cyclopropylpyrrol-2-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone has a molecular weight of 248.33 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclopropylpyrrol-2-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 114680510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).