1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[(2S)-2-(morpholine-4-carbonyl)piperidin-1-yl]ethanone

C18H27N3O3 — CID 97339149

IUPAC1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[(2S)-2-(morpholine-4-carbonyl)piperidin-1-yl]ethanone
SMILESCc1cc(C(=O)CN2CCCC[C@H]2C(=O)N2CCOCC2)c(C)[nH]1
InChIInChI=1S/C18H27N3O3/c1-13-11-15(14(2)19-13)17(22)12-21-6-4-3-5-16(21)18(23)20-7-9-24-10-8-20/h11,16,19H,3-10,12H2,1-2H3/t16-/m0/s1
InChIKeyDGNKAMKTULKYGX-INIZCTEOSA-N
MW333.43 g/mol
LogP1.53
Rot. Bonds4

About 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[(2S)-2-(morpholine-4-carbonyl)piperidin-1-yl]ethanone

1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[(2S)-2-(morpholine-4-carbonyl)piperidin-1-yl]ethanone (PubChem CID 97339149) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[(2S)-2-(morpholine-4-carbonyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[(2S)-2-(morpholine-4-carbonyl)piperidin-1-yl]ethanone
PubChem CID97339149
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[(2S)-2-(morpholine-4-carbonyl)piperidin-1-yl]ethanone
SMILESCc1cc(C(=O)CN2CCCC[C@H]2C(=O)N2CCOCC2)c(C)[nH]1
InChIInChI=1S/C18H27N3O3/c1-13-11-15(14(2)19-13)17(22)12-21-6-4-3-5-16(21)18(23)20-7-9-24-10-8-20/h11,16,19H,3-10,12H2,1-2H3/t16-/m0/s1
InChIKeyDGNKAMKTULKYGX-INIZCTEOSA-N
XLogP1.53
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[(2S)-2-(morpholine-4-carbonyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[(2S)-2-(morpholine-4-carbonyl)piperidin-1-yl]ethanone (CID 97339149) is 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[(2S)-2-(morpholine-4-carbonyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[(2S)-2-(morpholine-4-carbonyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[(2S)-2-(morpholine-4-carbonyl)piperidin-1-yl]ethanone is Cc1cc(C(=O)CN2CCCC[C@H]2C(=O)N2CCOCC2)c(C)[nH]1.
What is the InChIKey of 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[(2S)-2-(morpholine-4-carbonyl)piperidin-1-yl]ethanone?
The InChIKey is DGNKAMKTULKYGX-INIZCTEOSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-13-11-15(14(2)19-13)17(22)12-21-6-4-3-5-16(21)18(23)20-7-9-24-10-8-20/h11,16,19H,3-10,12H2,1-2H3/t16-/m0/s1.
What are the key properties of 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[(2S)-2-(morpholine-4-carbonyl)piperidin-1-yl]ethanone?
1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[(2S)-2-(morpholine-4-carbonyl)piperidin-1-yl]ethanone has a molecular weight of 333.43 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[(2S)-2-(morpholine-4-carbonyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 97339149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).