1-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid

C19H28N2O4 — CID 119251307

IUPAC1-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
SMILESCc1cc(C(=O)N2CCC(O)(C(=O)O)CC2)c(C)n1C1CCCCC1
InChIInChI=1S/C19H28N2O4/c1-13-12-16(14(2)21(13)15-6-4-3-5-7-15)17(22)20-10-8-19(25,9-11-20)18(23)24/h12,15,25H,3-11H2,1-2H3,(H,23,24)
InChIKeyQWAAWTJHXTXTGO-UHFFFAOYSA-N
MW348.44 g/mol
LogP2.66
Rot. Bonds3

About 1-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid

1-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid (PubChem CID 119251307) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is 1-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
PubChem CID119251307
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Name1-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
SMILESCc1cc(C(=O)N2CCC(O)(C(=O)O)CC2)c(C)n1C1CCCCC1
InChIInChI=1S/C19H28N2O4/c1-13-12-16(14(2)21(13)15-6-4-3-5-7-15)17(22)20-10-8-19(25,9-11-20)18(23)24/h12,15,25H,3-11H2,1-2H3,(H,23,24)
InChIKeyQWAAWTJHXTXTGO-UHFFFAOYSA-N
XLogP2.66
TPSA82.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 119256719
1-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid
CID 119258739
(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-piperazin-1-ylmethanone
CID 119401244
[4-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)piperazin-1-yl]-cyclopentylmethanone
CID 55564192
(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119561064
1-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119251590
[4-(1-aminoethyl)piperidin-1-yl]-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methanone;hydrochloride
CID 119518049
(4-amino-3,3-dimethylpiperidin-1-yl)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methanone;hydrochloride
CID 120816019
[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methanone
CID 124611414
(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride
CID 119622789
(3aS,7aS)-2-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxylic acid
CID 120626992
cyclopropyl-[4-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110806548

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid?
The IUPAC name of 1-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid (CID 119251307) is 1-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid?
The canonical SMILES for 1-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid is Cc1cc(C(=O)N2CCC(O)(C(=O)O)CC2)c(C)n1C1CCCCC1.
What is the InChIKey of 1-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid?
The InChIKey is QWAAWTJHXTXTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-13-12-16(14(2)21(13)15-6-4-3-5-7-15)17(22)20-10-8-19(25,9-11-20)18(23)24/h12,15,25H,3-11H2,1-2H3,(H,23,24).
What are the key properties of 1-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid?
1-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid has a molecular weight of 348.44 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid is sourced from PubChem (CID 119251307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).