(5-ethyl-1H-pyrrol-2-yl)-[4-hydroxy-3,3-dimethyl-4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone

C19H31N3O3 — CID 72897474

IUPAC(5-ethyl-1H-pyrrol-2-yl)-[4-hydroxy-3,3-dimethyl-4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
SMILESCCc1ccc(C(=O)N2CCC(O)(CN3CCOCC3)C(C)(C)C2)[nH]1
InChIInChI=1S/C19H31N3O3/c1-4-15-5-6-16(20-15)17(23)22-8-7-19(24,18(2,3)13-22)14-21-9-11-25-12-10-21/h5-6,20,24H,4,7-14H2,1-3H3
InChIKeyZOAGCQRNUNKXLO-UHFFFAOYSA-N
MW349.48 g/mol
LogP1.51
Rot. Bonds4

About (5-ethyl-1H-pyrrol-2-yl)-[4-hydroxy-3,3-dimethyl-4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone

(5-ethyl-1H-pyrrol-2-yl)-[4-hydroxy-3,3-dimethyl-4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone (PubChem CID 72897474) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is (5-ethyl-1H-pyrrol-2-yl)-[4-hydroxy-3,3-dimethyl-4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-ethyl-1H-pyrrol-2-yl)-[4-hydroxy-3,3-dimethyl-4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
PubChem CID72897474
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC Name(5-ethyl-1H-pyrrol-2-yl)-[4-hydroxy-3,3-dimethyl-4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
SMILESCCc1ccc(C(=O)N2CCC(O)(CN3CCOCC3)C(C)(C)C2)[nH]1
InChIInChI=1S/C19H31N3O3/c1-4-15-5-6-16(20-15)17(23)22-8-7-19(24,18(2,3)13-22)14-21-9-11-25-12-10-21/h5-6,20,24H,4,7-14H2,1-3H3
InChIKeyZOAGCQRNUNKXLO-UHFFFAOYSA-N
XLogP1.51
TPSA68.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

CID 121335268
CID 121335268
CID 121335316
CID 121335316
(3S*,4R*)-3-methoxy-1-[(5-phenyl-1H-pyrrol-2-yl)carbonyl]piperidin-4-amine
CID 56868716
(4S*)-1-[(5-ethyl-1H-pyrrol-2-yl)carbonyl]-3,3,4-trimethylpiperidin-4-ol
CID 70723659
(3R*,4S*)-1-[(5-ethyl-1H-pyrrol-2-yl)carbonyl]-3,4-dimethylpiperidin-4-ol
CID 70734422
2-[2-(dimethylamino)ethyl]-9-[(5-ethyl-1H-pyrrol-2-yl)carbonyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72867065
2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 46330397
2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-N-(2-methoxyethyl)acetamide
CID 46330404
2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-N-(3-ethoxypropyl)acetamide
CID 46330409
2-[1-(3,5-Dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-YL]-N-[2-(morpholin-4-YL)ethyl]acetamide
CID 46330415
2-[4-hydroxy-3,3-dimethyl-4-(morpholin-4-ylmethyl)piperidin-1-yl]-1-(1-methyl-1H-pyrrol-2-yl)-2-oxoethanone
CID 72909769
6-methyl-N-(4-morpholin-4-ylbutyl)pyridine-2-carboxamide
CID 53517178

Frequently Asked Questions

What is the IUPAC name of (5-ethyl-1H-pyrrol-2-yl)-[4-hydroxy-3,3-dimethyl-4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (5-ethyl-1H-pyrrol-2-yl)-[4-hydroxy-3,3-dimethyl-4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone (CID 72897474) is (5-ethyl-1H-pyrrol-2-yl)-[4-hydroxy-3,3-dimethyl-4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-ethyl-1H-pyrrol-2-yl)-[4-hydroxy-3,3-dimethyl-4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (5-ethyl-1H-pyrrol-2-yl)-[4-hydroxy-3,3-dimethyl-4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone is CCc1ccc(C(=O)N2CCC(O)(CN3CCOCC3)C(C)(C)C2)[nH]1.
What is the InChIKey of (5-ethyl-1H-pyrrol-2-yl)-[4-hydroxy-3,3-dimethyl-4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is ZOAGCQRNUNKXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3/c1-4-15-5-6-16(20-15)17(23)22-8-7-19(24,18(2,3)13-22)14-21-9-11-25-12-10-21/h5-6,20,24H,4,7-14H2,1-3H3.
What are the key properties of (5-ethyl-1H-pyrrol-2-yl)-[4-hydroxy-3,3-dimethyl-4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
(5-ethyl-1H-pyrrol-2-yl)-[4-hydroxy-3,3-dimethyl-4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 349.48 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-1H-pyrrol-2-yl)-[4-hydroxy-3,3-dimethyl-4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 72897474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).