N-[3-[4-[3-[1-[3-(methylamino)propyl]piperidin-4-yl]propyl]piperidin-1-yl]propyl]-8-oxononanamide

C29H56N4O2 — CID 129292848

IUPACN-[3-[4-[3-[1-[3-(methylamino)propyl]piperidin-4-yl]propyl]piperidin-1-yl]propyl]-8-oxononanamide
SMILESCNCCCN1CCC(CCCC2CCN(CCCNC(=O)CCCCCCC(C)=O)CC2)CC1
InChIInChI=1S/C29H56N4O2/c1-26(34)10-5-3-4-6-13-29(35)31-19-9-21-33-24-16-28(17-25-33)12-7-11-27-14-22-32(23-15-27)20-8-18-30-2/h27-28,30H,3-25H2,1-2H3,(H,31,35)
InChIKeyXYINUQCIVVVBLH-UHFFFAOYSA-N
MW492.79 g/mol
LogP4.63
Rot. Bonds19

About N-[3-[4-[3-[1-[3-(methylamino)propyl]piperidin-4-yl]propyl]piperidin-1-yl]propyl]-8-oxononanamide

N-[3-[4-[3-[1-[3-(methylamino)propyl]piperidin-4-yl]propyl]piperidin-1-yl]propyl]-8-oxononanamide (PubChem CID 129292848) has the molecular formula C29H56N4O2 and a molecular weight of 492.79 g/mol. Its IUPAC name is N-[3-[4-[3-[1-[3-(methylamino)propyl]piperidin-4-yl]propyl]piperidin-1-yl]propyl]-8-oxononanamide.

Molecular Properties

Compound NameN-[3-[4-[3-[1-[3-(methylamino)propyl]piperidin-4-yl]propyl]piperidin-1-yl]propyl]-8-oxononanamide
PubChem CID129292848
Molecular FormulaC29H56N4O2
Molecular Weight492.79 g/mol
Exact Mass492.44
IUPAC NameN-[3-[4-[3-[1-[3-(methylamino)propyl]piperidin-4-yl]propyl]piperidin-1-yl]propyl]-8-oxononanamide
SMILESCNCCCN1CCC(CCCC2CCN(CCCNC(=O)CCCCCCC(C)=O)CC2)CC1
InChIInChI=1S/C29H56N4O2/c1-26(34)10-5-3-4-6-13-29(35)31-19-9-21-33-24-16-28(17-25-33)12-7-11-27-14-22-32(23-15-27)20-8-18-30-2/h27-28,30H,3-25H2,1-2H3,(H,31,35)
InChIKeyXYINUQCIVVVBLH-UHFFFAOYSA-N
XLogP4.63
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds19
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.79
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[3-[1-[3-(methylamino)propyl]piperidin-4-yl]propyl]piperidin-1-yl]propyl]-8-oxononanamide?
The IUPAC name of N-[3-[4-[3-[1-[3-(methylamino)propyl]piperidin-4-yl]propyl]piperidin-1-yl]propyl]-8-oxononanamide (CID 129292848) is N-[3-[4-[3-[1-[3-(methylamino)propyl]piperidin-4-yl]propyl]piperidin-1-yl]propyl]-8-oxononanamide.
What is the SMILES notation for N-[3-[4-[3-[1-[3-(methylamino)propyl]piperidin-4-yl]propyl]piperidin-1-yl]propyl]-8-oxononanamide?
The canonical SMILES for N-[3-[4-[3-[1-[3-(methylamino)propyl]piperidin-4-yl]propyl]piperidin-1-yl]propyl]-8-oxononanamide is CNCCCN1CCC(CCCC2CCN(CCCNC(=O)CCCCCCC(C)=O)CC2)CC1.
What is the InChIKey of N-[3-[4-[3-[1-[3-(methylamino)propyl]piperidin-4-yl]propyl]piperidin-1-yl]propyl]-8-oxononanamide?
The InChIKey is XYINUQCIVVVBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H56N4O2/c1-26(34)10-5-3-4-6-13-29(35)31-19-9-21-33-24-16-28(17-25-33)12-7-11-27-14-22-32(23-15-27)20-8-18-30-2/h27-28,30H,3-25H2,1-2H3,(H,31,35).
What are the key properties of N-[3-[4-[3-[1-[3-(methylamino)propyl]piperidin-4-yl]propyl]piperidin-1-yl]propyl]-8-oxononanamide?
N-[3-[4-[3-[1-[3-(methylamino)propyl]piperidin-4-yl]propyl]piperidin-1-yl]propyl]-8-oxononanamide has a molecular weight of 492.79 g/mol, XLogP of 4.63, 19 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[3-[1-[3-(methylamino)propyl]piperidin-4-yl]propyl]piperidin-1-yl]propyl]-8-oxononanamide is sourced from PubChem (CID 129292848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).