(1-cyclopentylpyrrol-2-yl)-[4-ethyl-4-(hydroxymethyl)piperidin-1-yl]methanone

C18H28N2O2 — CID 110009433

IUPAC(1-cyclopentylpyrrol-2-yl)-[4-ethyl-4-(hydroxymethyl)piperidin-1-yl]methanone
SMILESCCC1(CO)CCN(C(=O)c2cccn2C2CCCC2)CC1
InChIInChI=1S/C18H28N2O2/c1-2-18(14-21)9-12-19(13-10-18)17(22)16-8-5-11-20(16)15-6-3-4-7-15/h5,8,11,15,21H,2-4,6-7,9-10,12-14H2,1H3
InChIKeyBUGYXGAZMKOQQK-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.23
Rot. Bonds4

About (1-cyclopentylpyrrol-2-yl)-[4-ethyl-4-(hydroxymethyl)piperidin-1-yl]methanone

(1-cyclopentylpyrrol-2-yl)-[4-ethyl-4-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 110009433) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is (1-cyclopentylpyrrol-2-yl)-[4-ethyl-4-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-cyclopentylpyrrol-2-yl)-[4-ethyl-4-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID110009433
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name(1-cyclopentylpyrrol-2-yl)-[4-ethyl-4-(hydroxymethyl)piperidin-1-yl]methanone
SMILESCCC1(CO)CCN(C(=O)c2cccn2C2CCCC2)CC1
InChIInChI=1S/C18H28N2O2/c1-2-18(14-21)9-12-19(13-10-18)17(22)16-8-5-11-20(16)15-6-3-4-7-15/h5,8,11,15,21H,2-4,6-7,9-10,12-14H2,1H3
InChIKeyBUGYXGAZMKOQQK-UHFFFAOYSA-N
XLogP3.23
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-cyclopropylpyrrole-2-carbonyl)-4-ethylpiperidine-4-carboxylic acid
CID 63125271
(1-cyclobutylpyrrol-2-yl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107406232
(1-cyclopentylpyrrol-2-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 138004302
1-cyclobutyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyrrole-2-carboxamide
CID 114609745
2-[1-(1-cyclobutylpyrrole-2-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102657589
[(3aR,7S,7aS)-7-ethyl-7-hydroxy-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl]-(1-cyclopropylpyrrol-2-yl)methanone
CID 162635920
(3-aminoazetidin-1-yl)-(1-cyclobutylpyrrol-2-yl)methanone
CID 114610392
3-[1-(1-cyclopropylpyrrole-2-carbonyl)piperidin-4-yl]propanoic acid
CID 62217489
1-(1-cyclopentylpyrrole-2-carbonyl)-2,2-dimethylpyrrolidine-3-carboxylic acid
CID 166275939
(1-cyclohexylpyrrol-2-yl)-phenylmethanone
CID 25137250
azepan-1-yl-(1-piperidin-4-ylpyrrol-2-yl)methanone
CID 62716935
(1-cyclopropylpyrrol-2-yl)-[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 97192769

Frequently Asked Questions

What is the IUPAC name of (1-cyclopentylpyrrol-2-yl)-[4-ethyl-4-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (1-cyclopentylpyrrol-2-yl)-[4-ethyl-4-(hydroxymethyl)piperidin-1-yl]methanone (CID 110009433) is (1-cyclopentylpyrrol-2-yl)-[4-ethyl-4-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (1-cyclopentylpyrrol-2-yl)-[4-ethyl-4-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (1-cyclopentylpyrrol-2-yl)-[4-ethyl-4-(hydroxymethyl)piperidin-1-yl]methanone is CCC1(CO)CCN(C(=O)c2cccn2C2CCCC2)CC1.
What is the InChIKey of (1-cyclopentylpyrrol-2-yl)-[4-ethyl-4-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is BUGYXGAZMKOQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-2-18(14-21)9-12-19(13-10-18)17(22)16-8-5-11-20(16)15-6-3-4-7-15/h5,8,11,15,21H,2-4,6-7,9-10,12-14H2,1H3.
What are the key properties of (1-cyclopentylpyrrol-2-yl)-[4-ethyl-4-(hydroxymethyl)piperidin-1-yl]methanone?
(1-cyclopentylpyrrol-2-yl)-[4-ethyl-4-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 304.43 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclopentylpyrrol-2-yl)-[4-ethyl-4-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 110009433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).