3-(1-methylpiperidin-2-yl)-N-(2-pyrrol-1-ylethyl)propanamide

C15H25N3O — CID 72935048

IUPAC3-(1-methylpiperidin-2-yl)-N-(2-pyrrol-1-ylethyl)propanamide
SMILESCN1CCCCC1CCC(=O)NCCn1cccc1
InChIInChI=1S/C15H25N3O/c1-17-10-3-2-6-14(17)7-8-15(19)16-9-13-18-11-4-5-12-18/h4-5,11-12,14H,2-3,6-10,13H2,1H3,(H,16,19)
InChIKeyMWTMLHMFQSLGDO-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.87
Rot. Bonds6

About 3-(1-methylpiperidin-2-yl)-N-(2-pyrrol-1-ylethyl)propanamide

3-(1-methylpiperidin-2-yl)-N-(2-pyrrol-1-ylethyl)propanamide (PubChem CID 72935048) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-(1-methylpiperidin-2-yl)-N-(2-pyrrol-1-ylethyl)propanamide.

Molecular Properties

Compound Name3-(1-methylpiperidin-2-yl)-N-(2-pyrrol-1-ylethyl)propanamide
PubChem CID72935048
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name3-(1-methylpiperidin-2-yl)-N-(2-pyrrol-1-ylethyl)propanamide
SMILESCN1CCCCC1CCC(=O)NCCn1cccc1
InChIInChI=1S/C15H25N3O/c1-17-10-3-2-6-14(17)7-8-15(19)16-9-13-18-11-4-5-12-18/h4-5,11-12,14H,2-3,6-10,13H2,1H3,(H,16,19)
InChIKeyMWTMLHMFQSLGDO-UHFFFAOYSA-N
XLogP1.87
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

N-cycloheptyl-2-(1H-pyrrol-1-yl)acetamide
CID 3239634
N-[1-(methylsulfonyl)piperidin-4-yl]-2-(1H-pyrrol-1-yl)pentanamide
CID 56867451
1-cyclohexyl-N-[2-(1H-pyrrol-1-yl)ethyl]-4-piperidinecarboxamide
CID 72839938
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
CID 72936372
N-[2-(1-azepanyl)ethyl]-3-(1H-pyrrol-1-yl)propanamide
CID 45106881
Ethyl 4-[3-(1H-pyrrol-1-YL)propanamido]piperidine-1-carboxylate
CID 45106964
N-tert-butyl-1-pyrrol-1-ylcyclohexane-1-carboxamide
CID 53015442
2-[methyl(propan-2-yl)amino]-N-(2-pyrrol-1-ylethyl)acetamide
CID 71980029
3-pyridin-2-yl-N-(2-pyrrol-1-ylethyl)propanamide
CID 71980053
1-methyl-6-oxo-N-(2-pyrrol-1-ylethyl)-4,5-dihydropyridazine-3-carboxamide
CID 71980542

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpiperidin-2-yl)-N-(2-pyrrol-1-ylethyl)propanamide?
The IUPAC name of 3-(1-methylpiperidin-2-yl)-N-(2-pyrrol-1-ylethyl)propanamide (CID 72935048) is 3-(1-methylpiperidin-2-yl)-N-(2-pyrrol-1-ylethyl)propanamide.
What is the SMILES notation for 3-(1-methylpiperidin-2-yl)-N-(2-pyrrol-1-ylethyl)propanamide?
The canonical SMILES for 3-(1-methylpiperidin-2-yl)-N-(2-pyrrol-1-ylethyl)propanamide is CN1CCCCC1CCC(=O)NCCn1cccc1.
What is the InChIKey of 3-(1-methylpiperidin-2-yl)-N-(2-pyrrol-1-ylethyl)propanamide?
The InChIKey is MWTMLHMFQSLGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-17-10-3-2-6-14(17)7-8-15(19)16-9-13-18-11-4-5-12-18/h4-5,11-12,14H,2-3,6-10,13H2,1H3,(H,16,19).
What are the key properties of 3-(1-methylpiperidin-2-yl)-N-(2-pyrrol-1-ylethyl)propanamide?
3-(1-methylpiperidin-2-yl)-N-(2-pyrrol-1-ylethyl)propanamide has a molecular weight of 263.38 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpiperidin-2-yl)-N-(2-pyrrol-1-ylethyl)propanamide is sourced from PubChem (CID 72935048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).