ethyl 3-[1-(piperidine-1-carbonyl)pyrrol-2-yl]butanoate

C16H24N2O3 — CID 177425682

IUPACethyl 3-[1-(piperidine-1-carbonyl)pyrrol-2-yl]butanoate
SMILESCCOC(=O)CC(C)c1cccn1C(=O)N1CCCCC1
InChIInChI=1S/C16H24N2O3/c1-3-21-15(19)12-13(2)14-8-7-11-18(14)16(20)17-9-5-4-6-10-17/h7-8,11,13H,3-6,9-10,12H2,1-2H3
InChIKeyQRHAHFPVKYYDMW-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.00
Rot. Bonds4

About ethyl 3-[1-(piperidine-1-carbonyl)pyrrol-2-yl]butanoate

ethyl 3-[1-(piperidine-1-carbonyl)pyrrol-2-yl]butanoate (PubChem CID 177425682) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is ethyl 3-[1-(piperidine-1-carbonyl)pyrrol-2-yl]butanoate.

Molecular Properties

Compound Nameethyl 3-[1-(piperidine-1-carbonyl)pyrrol-2-yl]butanoate
PubChem CID177425682
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Nameethyl 3-[1-(piperidine-1-carbonyl)pyrrol-2-yl]butanoate
SMILESCCOC(=O)CC(C)c1cccn1C(=O)N1CCCCC1
InChIInChI=1S/C16H24N2O3/c1-3-21-15(19)12-13(2)14-8-7-11-18(14)16(20)17-9-5-4-6-10-17/h7-8,11,13H,3-6,9-10,12H2,1-2H3
InChIKeyQRHAHFPVKYYDMW-UHFFFAOYSA-N
XLogP3.00
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[1-(piperidine-1-carbonyl)pyrrol-2-yl]butanoate?
The IUPAC name of ethyl 3-[1-(piperidine-1-carbonyl)pyrrol-2-yl]butanoate (CID 177425682) is ethyl 3-[1-(piperidine-1-carbonyl)pyrrol-2-yl]butanoate.
What is the SMILES notation for ethyl 3-[1-(piperidine-1-carbonyl)pyrrol-2-yl]butanoate?
The canonical SMILES for ethyl 3-[1-(piperidine-1-carbonyl)pyrrol-2-yl]butanoate is CCOC(=O)CC(C)c1cccn1C(=O)N1CCCCC1.
What is the InChIKey of ethyl 3-[1-(piperidine-1-carbonyl)pyrrol-2-yl]butanoate?
The InChIKey is QRHAHFPVKYYDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-3-21-15(19)12-13(2)14-8-7-11-18(14)16(20)17-9-5-4-6-10-17/h7-8,11,13H,3-6,9-10,12H2,1-2H3.
What are the key properties of ethyl 3-[1-(piperidine-1-carbonyl)pyrrol-2-yl]butanoate?
ethyl 3-[1-(piperidine-1-carbonyl)pyrrol-2-yl]butanoate has a molecular weight of 292.38 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[1-(piperidine-1-carbonyl)pyrrol-2-yl]butanoate is sourced from PubChem (CID 177425682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).