3-piperidin-1-yl-N-[(3-piperidin-1-ylpropanoylamino)methyl]propanamide

C17H32N4O2 — CID 649224

IUPAC3-piperidin-1-yl-N-[(3-piperidin-1-ylpropanoylamino)methyl]propanamide
SMILESO=C(CCN1CCCCC1)NCNC(=O)CCN1CCCCC1
InChIInChI=1S/C17H32N4O2/c22-16(7-13-20-9-3-1-4-10-20)18-15-19-17(23)8-14-21-11-5-2-6-12-21/h1-15H2,(H,18,22)(H,19,23)
InChIKeyRQSAHFQPGVDELO-UHFFFAOYSA-N
MW324.47 g/mol
LogP0.93
Rot. Bonds8

About 3-piperidin-1-yl-N-[(3-piperidin-1-ylpropanoylamino)methyl]propanamide

3-piperidin-1-yl-N-[(3-piperidin-1-ylpropanoylamino)methyl]propanamide (PubChem CID 649224) has the molecular formula C17H32N4O2 and a molecular weight of 324.47 g/mol. Its IUPAC name is 3-piperidin-1-yl-N-[(3-piperidin-1-ylpropanoylamino)methyl]propanamide.

Molecular Properties

Compound Name3-piperidin-1-yl-N-[(3-piperidin-1-ylpropanoylamino)methyl]propanamide
PubChem CID649224
Molecular FormulaC17H32N4O2
Molecular Weight324.47 g/mol
Exact Mass324.25
IUPAC Name3-piperidin-1-yl-N-[(3-piperidin-1-ylpropanoylamino)methyl]propanamide
SMILESO=C(CCN1CCCCC1)NCNC(=O)CCN1CCCCC1
InChIInChI=1S/C17H32N4O2/c22-16(7-13-20-9-3-1-4-10-20)18-15-19-17(23)8-14-21-11-5-2-6-12-21/h1-15H2,(H,18,22)(H,19,23)
InChIKeyRQSAHFQPGVDELO-UHFFFAOYSA-N
XLogP0.93
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-yl-N-[(3-piperidin-1-ylpropanoylamino)methyl]propanamide?
The IUPAC name of 3-piperidin-1-yl-N-[(3-piperidin-1-ylpropanoylamino)methyl]propanamide (CID 649224) is 3-piperidin-1-yl-N-[(3-piperidin-1-ylpropanoylamino)methyl]propanamide.
What is the SMILES notation for 3-piperidin-1-yl-N-[(3-piperidin-1-ylpropanoylamino)methyl]propanamide?
The canonical SMILES for 3-piperidin-1-yl-N-[(3-piperidin-1-ylpropanoylamino)methyl]propanamide is O=C(CCN1CCCCC1)NCNC(=O)CCN1CCCCC1.
What is the InChIKey of 3-piperidin-1-yl-N-[(3-piperidin-1-ylpropanoylamino)methyl]propanamide?
The InChIKey is RQSAHFQPGVDELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O2/c22-16(7-13-20-9-3-1-4-10-20)18-15-19-17(23)8-14-21-11-5-2-6-12-21/h1-15H2,(H,18,22)(H,19,23).
What are the key properties of 3-piperidin-1-yl-N-[(3-piperidin-1-ylpropanoylamino)methyl]propanamide?
3-piperidin-1-yl-N-[(3-piperidin-1-ylpropanoylamino)methyl]propanamide has a molecular weight of 324.47 g/mol, XLogP of 0.93, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-yl-N-[(3-piperidin-1-ylpropanoylamino)methyl]propanamide is sourced from PubChem (CID 649224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).