(1-ethyl-2,5-dimethylpyrrol-3-yl)-[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]methanone

C20H33N3O2 — CID 95877164

IUPAC(1-ethyl-2,5-dimethylpyrrol-3-yl)-[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]methanone
SMILESCCn1c(C)cc(C(=O)N2CCC([C@@H](C)N3CCOCC3)CC2)c1C
InChIInChI=1S/C20H33N3O2/c1-5-23-15(2)14-19(17(23)4)20(24)22-8-6-18(7-9-22)16(3)21-10-12-25-13-11-21/h14,16,18H,5-13H2,1-4H3/t16-/m1/s1
InChIKeyBGAHWKOIQMZACT-MRXNPFEDSA-N
MW347.50 g/mol
LogP2.70
Rot. Bonds4

About (1-ethyl-2,5-dimethylpyrrol-3-yl)-[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]methanone

(1-ethyl-2,5-dimethylpyrrol-3-yl)-[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]methanone (PubChem CID 95877164) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is (1-ethyl-2,5-dimethylpyrrol-3-yl)-[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-ethyl-2,5-dimethylpyrrol-3-yl)-[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]methanone
PubChem CID95877164
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC Name(1-ethyl-2,5-dimethylpyrrol-3-yl)-[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]methanone
SMILESCCn1c(C)cc(C(=O)N2CCC([C@@H](C)N3CCOCC3)CC2)c1C
InChIInChI=1S/C20H33N3O2/c1-5-23-15(2)14-19(17(23)4)20(24)22-8-6-18(7-9-22)16(3)21-10-12-25-13-11-21/h14,16,18H,5-13H2,1-4H3/t16-/m1/s1
InChIKeyBGAHWKOIQMZACT-MRXNPFEDSA-N
XLogP2.70
TPSA37.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1-ethyl-2,5-dimethylpyrrol-3-yl)-[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

(1-ethyl-2,5-dimethylpyrrol-3-yl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 111434119
(1-ethyl-2,5-dimethylpyrrol-3-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110023367
(4-aminopiperidin-1-yl)-(1-ethyl-2,5-dimethylpyrrol-3-yl)methanone
CID 119375051
2-methyl-5-[4-(1-morpholin-4-ylethyl)piperidine-1-carbonyl]-1H-pyridin-4-one
CID 56909455
[4-(aminomethyl)piperidin-1-yl]-(1-ethyl-2,5-dimethylpyrrol-3-yl)methanone;hydrochloride
CID 119423503
(4-chloro-2-hydroxyphenyl)-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 56904274
(5-ethyl-1H-pyrazol-4-yl)-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 118788925
(1-ethylindol-5-yl)-[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]methanone
CID 95896712
[2-(dimethylamino)-4-methylpyrimidin-5-yl]-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 70732353
[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(1-ethyl-2,5-dimethylpyrrol-3-yl)methanone
CID 126810852
[(2S)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-(1-ethyl-2,5-dimethylpyrrol-3-yl)methanone
CID 124686397
(1-ethyl-2,5-dimethylpyrrol-3-yl)-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone
CID 75443653

Frequently Asked Questions

What is the IUPAC name of (1-ethyl-2,5-dimethylpyrrol-3-yl)-[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]methanone?
The IUPAC name of (1-ethyl-2,5-dimethylpyrrol-3-yl)-[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]methanone (CID 95877164) is (1-ethyl-2,5-dimethylpyrrol-3-yl)-[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]methanone.
What is the SMILES notation for (1-ethyl-2,5-dimethylpyrrol-3-yl)-[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]methanone?
The canonical SMILES for (1-ethyl-2,5-dimethylpyrrol-3-yl)-[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]methanone is CCn1c(C)cc(C(=O)N2CCC([C@@H](C)N3CCOCC3)CC2)c1C.
What is the InChIKey of (1-ethyl-2,5-dimethylpyrrol-3-yl)-[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]methanone?
The InChIKey is BGAHWKOIQMZACT-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-5-23-15(2)14-19(17(23)4)20(24)22-8-6-18(7-9-22)16(3)21-10-12-25-13-11-21/h14,16,18H,5-13H2,1-4H3/t16-/m1/s1.
What are the key properties of (1-ethyl-2,5-dimethylpyrrol-3-yl)-[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]methanone?
(1-ethyl-2,5-dimethylpyrrol-3-yl)-[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]methanone has a molecular weight of 347.50 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-2,5-dimethylpyrrol-3-yl)-[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 95877164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).