ethyl 1-[2-(1H-pyrrol-2-yl)acetyl]piperidine-3-carboxylate

C14H20N2O3 — CID 110690844

IUPACethyl 1-[2-(1H-pyrrol-2-yl)acetyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)Cc2ccc[nH]2)C1
InChIInChI=1S/C14H20N2O3/c1-2-19-14(18)11-5-4-8-16(10-11)13(17)9-12-6-3-7-15-12/h3,6-7,11,15H,2,4-5,8-10H2,1H3
InChIKeyPENTYMOHJRFJEO-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.36
Rot. Bonds4

About ethyl 1-[2-(1H-pyrrol-2-yl)acetyl]piperidine-3-carboxylate

ethyl 1-[2-(1H-pyrrol-2-yl)acetyl]piperidine-3-carboxylate (PubChem CID 110690844) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is ethyl 1-[2-(1H-pyrrol-2-yl)acetyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(1H-pyrrol-2-yl)acetyl]piperidine-3-carboxylate
PubChem CID110690844
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Nameethyl 1-[2-(1H-pyrrol-2-yl)acetyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)Cc2ccc[nH]2)C1
InChIInChI=1S/C14H20N2O3/c1-2-19-14(18)11-5-4-8-16(10-11)13(17)9-12-6-3-7-15-12/h3,6-7,11,15H,2,4-5,8-10H2,1H3
InChIKeyPENTYMOHJRFJEO-UHFFFAOYSA-N
XLogP1.36
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-aminopiperidin-1-yl)-2-(1H-pyrrol-2-yl)ethanone
CID 115277206
ethyl 1-[2-(4-methylphenyl)acetyl]piperidine-3-carboxylate
CID 2940373
ethyl 1-[2-(1H-indol-6-yl)acetyl]piperidine-3-carboxylate
CID 84577392
ethyl 1-[2-(furan-2-yl)acetyl]piperidine-3-carboxylate
CID 110690641
ethyl (3R)-1-[2-(3-methylphenyl)acetyl]piperidine-3-carboxylate
CID 81338801
ethyl (3S)-1-(2-pyridin-4-ylacetyl)piperidine-3-carboxylate
CID 115535618
ethyl 1-(2-pyridin-4-ylacetyl)piperidine-3-carboxylate
CID 43623395
ethyl (3R)-1-but-3-enoylpiperidine-3-carboxylate
CID 115538775
ethyl 1-[2-(N-methylanilino)acetyl]piperidine-3-carboxylate
CID 78782540
ethyl 1-[2-(2-methylphenyl)sulfanylacetyl]piperidine-3-carboxylate
CID 78785099
ethyl 1-[3-(1H-imidazol-5-yl)propanoyl]piperidine-3-carboxylate
CID 110697880
ethyl 1-(2-cyclopropylacetyl)piperidine-3-carboxylate
CID 43424044

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(1H-pyrrol-2-yl)acetyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[2-(1H-pyrrol-2-yl)acetyl]piperidine-3-carboxylate (CID 110690844) is ethyl 1-[2-(1H-pyrrol-2-yl)acetyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[2-(1H-pyrrol-2-yl)acetyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[2-(1H-pyrrol-2-yl)acetyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)Cc2ccc[nH]2)C1.
What is the InChIKey of ethyl 1-[2-(1H-pyrrol-2-yl)acetyl]piperidine-3-carboxylate?
The InChIKey is PENTYMOHJRFJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-2-19-14(18)11-5-4-8-16(10-11)13(17)9-12-6-3-7-15-12/h3,6-7,11,15H,2,4-5,8-10H2,1H3.
What are the key properties of ethyl 1-[2-(1H-pyrrol-2-yl)acetyl]piperidine-3-carboxylate?
ethyl 1-[2-(1H-pyrrol-2-yl)acetyl]piperidine-3-carboxylate has a molecular weight of 264.32 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(1H-pyrrol-2-yl)acetyl]piperidine-3-carboxylate is sourced from PubChem (CID 110690844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).