ethyl 4-[[2-(2,5-dimethyl-1H-pyrrol-3-yl)acetyl]amino]piperidine-1-carboxylate

C16H25N3O3 — CID 110773503

IUPACethyl 4-[[2-(2,5-dimethyl-1H-pyrrol-3-yl)acetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)Cc2cc(C)[nH]c2C)CC1
InChIInChI=1S/C16H25N3O3/c1-4-22-16(21)19-7-5-14(6-8-19)18-15(20)10-13-9-11(2)17-12(13)3/h9,14,17H,4-8,10H2,1-3H3,(H,18,20)
InChIKeyGRNPBSAUIPZWGX-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.91
Rot. Bonds4

About ethyl 4-[[2-(2,5-dimethyl-1H-pyrrol-3-yl)acetyl]amino]piperidine-1-carboxylate

ethyl 4-[[2-(2,5-dimethyl-1H-pyrrol-3-yl)acetyl]amino]piperidine-1-carboxylate (PubChem CID 110773503) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is ethyl 4-[[2-(2,5-dimethyl-1H-pyrrol-3-yl)acetyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-(2,5-dimethyl-1H-pyrrol-3-yl)acetyl]amino]piperidine-1-carboxylate
PubChem CID110773503
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Nameethyl 4-[[2-(2,5-dimethyl-1H-pyrrol-3-yl)acetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)Cc2cc(C)[nH]c2C)CC1
InChIInChI=1S/C16H25N3O3/c1-4-22-16(21)19-7-5-14(6-8-19)18-15(20)10-13-9-11(2)17-12(13)3/h9,14,17H,4-8,10H2,1-3H3,(H,18,20)
InChIKeyGRNPBSAUIPZWGX-UHFFFAOYSA-N
XLogP1.91
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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ethyl 4-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]piperidine-1-carboxylate
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ethyl 4-(piperidine-4-carbonylamino)piperidine-1-carboxylate
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ethyl 4-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]piperidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(2,5-dimethyl-1H-pyrrol-3-yl)acetyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-(2,5-dimethyl-1H-pyrrol-3-yl)acetyl]amino]piperidine-1-carboxylate (CID 110773503) is ethyl 4-[[2-(2,5-dimethyl-1H-pyrrol-3-yl)acetyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-(2,5-dimethyl-1H-pyrrol-3-yl)acetyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-(2,5-dimethyl-1H-pyrrol-3-yl)acetyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)Cc2cc(C)[nH]c2C)CC1.
What is the InChIKey of ethyl 4-[[2-(2,5-dimethyl-1H-pyrrol-3-yl)acetyl]amino]piperidine-1-carboxylate?
The InChIKey is GRNPBSAUIPZWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-4-22-16(21)19-7-5-14(6-8-19)18-15(20)10-13-9-11(2)17-12(13)3/h9,14,17H,4-8,10H2,1-3H3,(H,18,20).
What are the key properties of ethyl 4-[[2-(2,5-dimethyl-1H-pyrrol-3-yl)acetyl]amino]piperidine-1-carboxylate?
ethyl 4-[[2-(2,5-dimethyl-1H-pyrrol-3-yl)acetyl]amino]piperidine-1-carboxylate has a molecular weight of 307.39 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(2,5-dimethyl-1H-pyrrol-3-yl)acetyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 110773503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).