N-(1-methylpiperidin-4-yl)-N-pyrrol-1-ylpropanamide

C13H21N3O — CID 13306766

IUPACN-(1-methylpiperidin-4-yl)-N-pyrrol-1-ylpropanamide
SMILESCCC(=O)N(C1CCN(C)CC1)n1cccc1
InChIInChI=1S/C13H21N3O/c1-3-13(17)16(15-8-4-5-9-15)12-6-10-14(2)11-7-12/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3
InChIKeyAQQWGPZECALEGB-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.46
Rot. Bonds3

About N-(1-methylpiperidin-4-yl)-N-pyrrol-1-ylpropanamide

N-(1-methylpiperidin-4-yl)-N-pyrrol-1-ylpropanamide (PubChem CID 13306766) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(1-methylpiperidin-4-yl)-N-pyrrol-1-ylpropanamide.

Molecular Properties

Compound NameN-(1-methylpiperidin-4-yl)-N-pyrrol-1-ylpropanamide
PubChem CID13306766
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-(1-methylpiperidin-4-yl)-N-pyrrol-1-ylpropanamide
SMILESCCC(=O)N(C1CCN(C)CC1)n1cccc1
InChIInChI=1S/C13H21N3O/c1-3-13(17)16(15-8-4-5-9-15)12-6-10-14(2)11-7-12/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3
InChIKeyAQQWGPZECALEGB-UHFFFAOYSA-N
XLogP1.46
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpiperidin-4-yl)-N-pyrrol-1-ylpropanamide?
The IUPAC name of N-(1-methylpiperidin-4-yl)-N-pyrrol-1-ylpropanamide (CID 13306766) is N-(1-methylpiperidin-4-yl)-N-pyrrol-1-ylpropanamide.
What is the SMILES notation for N-(1-methylpiperidin-4-yl)-N-pyrrol-1-ylpropanamide?
The canonical SMILES for N-(1-methylpiperidin-4-yl)-N-pyrrol-1-ylpropanamide is CCC(=O)N(C1CCN(C)CC1)n1cccc1.
What is the InChIKey of N-(1-methylpiperidin-4-yl)-N-pyrrol-1-ylpropanamide?
The InChIKey is AQQWGPZECALEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-3-13(17)16(15-8-4-5-9-15)12-6-10-14(2)11-7-12/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3.
What are the key properties of N-(1-methylpiperidin-4-yl)-N-pyrrol-1-ylpropanamide?
N-(1-methylpiperidin-4-yl)-N-pyrrol-1-ylpropanamide has a molecular weight of 235.33 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpiperidin-4-yl)-N-pyrrol-1-ylpropanamide is sourced from PubChem (CID 13306766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).