4-piperidin-1-yl-N-(2-pyrrol-1-ylethyl)butanamide

C15H25N3O — CID 72884349

IUPAC4-piperidin-1-yl-N-(2-pyrrol-1-ylethyl)butanamide
SMILESO=C(CCCN1CCCCC1)NCCn1cccc1
InChIInChI=1S/C15H25N3O/c19-15(16-8-14-18-11-4-5-12-18)7-6-13-17-9-2-1-3-10-17/h4-5,11-12H,1-3,6-10,13-14H2,(H,16,19)
InChIKeyATTSCRGCRPTYES-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.87
Rot. Bonds7

About 4-piperidin-1-yl-N-(2-pyrrol-1-ylethyl)butanamide

4-piperidin-1-yl-N-(2-pyrrol-1-ylethyl)butanamide (PubChem CID 72884349) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-piperidin-1-yl-N-(2-pyrrol-1-ylethyl)butanamide.

Molecular Properties

Compound Name4-piperidin-1-yl-N-(2-pyrrol-1-ylethyl)butanamide
PubChem CID72884349
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name4-piperidin-1-yl-N-(2-pyrrol-1-ylethyl)butanamide
SMILESO=C(CCCN1CCCCC1)NCCn1cccc1
InChIInChI=1S/C15H25N3O/c19-15(16-8-14-18-11-4-5-12-18)7-6-13-17-9-2-1-3-10-17/h4-5,11-12H,1-3,6-10,13-14H2,(H,16,19)
InChIKeyATTSCRGCRPTYES-UHFFFAOYSA-N
XLogP1.87
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(2-Pyrrol-1-yl-ethyl)piperazine
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1-(4-Ethylpiperazino)-3-(1H-pyrrol-1-YL)-1-propanone
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N-[1-(methylsulfonyl)piperidin-4-yl]-2-(1H-pyrrol-1-yl)pentanamide
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1-ethyl-5-oxo-N-[2-(1H-pyrrol-1-yl)ethyl]-3-pyrrolidinecarboxamide
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1-cyclohexyl-N-[2-(1H-pyrrol-1-yl)ethyl]-4-piperidinecarboxamide
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1-cyclopentyl-N-[2-(1H-pyrrol-1-yl)ethyl]-3-piperidinecarboxamide
CID 72869374
1-cyclopentyl-6-oxo-N-[2-(1H-pyrrol-1-yl)ethyl]-3-piperidinecarboxamide
CID 72909181
1-ethyl-6-oxo-N-[2-(1H-pyrrol-1-yl)ethyl]-3-piperidinecarboxamide
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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-yl-N-(2-pyrrol-1-ylethyl)butanamide?
The IUPAC name of 4-piperidin-1-yl-N-(2-pyrrol-1-ylethyl)butanamide (CID 72884349) is 4-piperidin-1-yl-N-(2-pyrrol-1-ylethyl)butanamide.
What is the SMILES notation for 4-piperidin-1-yl-N-(2-pyrrol-1-ylethyl)butanamide?
The canonical SMILES for 4-piperidin-1-yl-N-(2-pyrrol-1-ylethyl)butanamide is O=C(CCCN1CCCCC1)NCCn1cccc1.
What is the InChIKey of 4-piperidin-1-yl-N-(2-pyrrol-1-ylethyl)butanamide?
The InChIKey is ATTSCRGCRPTYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c19-15(16-8-14-18-11-4-5-12-18)7-6-13-17-9-2-1-3-10-17/h4-5,11-12H,1-3,6-10,13-14H2,(H,16,19).
What are the key properties of 4-piperidin-1-yl-N-(2-pyrrol-1-ylethyl)butanamide?
4-piperidin-1-yl-N-(2-pyrrol-1-ylethyl)butanamide has a molecular weight of 263.38 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-yl-N-(2-pyrrol-1-ylethyl)butanamide is sourced from PubChem (CID 72884349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).