3-piperidin-3-yl-N-pyrrol-1-ylpropanamide

C12H19N3O — CID 79099929

IUPAC3-piperidin-3-yl-N-pyrrol-1-ylpropanamide
SMILESO=C(CCC1CCCNC1)Nn1cccc1
InChIInChI=1S/C12H19N3O/c16-12(14-15-8-1-2-9-15)6-5-11-4-3-7-13-10-11/h1-2,8-9,11,13H,3-7,10H2,(H,14,16)
InChIKeyJNNXROAMRRIJQM-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.34
Rot. Bonds4

About 3-piperidin-3-yl-N-pyrrol-1-ylpropanamide

3-piperidin-3-yl-N-pyrrol-1-ylpropanamide (PubChem CID 79099929) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-piperidin-3-yl-N-pyrrol-1-ylpropanamide.

Molecular Properties

Compound Name3-piperidin-3-yl-N-pyrrol-1-ylpropanamide
PubChem CID79099929
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3-piperidin-3-yl-N-pyrrol-1-ylpropanamide
SMILESO=C(CCC1CCCNC1)Nn1cccc1
InChIInChI=1S/C12H19N3O/c16-12(14-15-8-1-2-9-15)6-5-11-4-3-7-13-10-11/h1-2,8-9,11,13H,3-7,10H2,(H,14,16)
InChIKeyJNNXROAMRRIJQM-UHFFFAOYSA-N
XLogP1.34
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-3-yl-N-pyrrol-1-ylpropanamide?
The IUPAC name of 3-piperidin-3-yl-N-pyrrol-1-ylpropanamide (CID 79099929) is 3-piperidin-3-yl-N-pyrrol-1-ylpropanamide.
What is the SMILES notation for 3-piperidin-3-yl-N-pyrrol-1-ylpropanamide?
The canonical SMILES for 3-piperidin-3-yl-N-pyrrol-1-ylpropanamide is O=C(CCC1CCCNC1)Nn1cccc1.
What is the InChIKey of 3-piperidin-3-yl-N-pyrrol-1-ylpropanamide?
The InChIKey is JNNXROAMRRIJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c16-12(14-15-8-1-2-9-15)6-5-11-4-3-7-13-10-11/h1-2,8-9,11,13H,3-7,10H2,(H,14,16).
What are the key properties of 3-piperidin-3-yl-N-pyrrol-1-ylpropanamide?
3-piperidin-3-yl-N-pyrrol-1-ylpropanamide has a molecular weight of 221.30 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-3-yl-N-pyrrol-1-ylpropanamide is sourced from PubChem (CID 79099929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).