2-methyl-N-[7-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-7-azaspiro[3.5]nonan-2-yl]propanamide

C22H40N4O2 — CID 154670547

IUPAC2-methyl-N-[7-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-7-azaspiro[3.5]nonan-2-yl]propanamide
SMILESCC(C)C(=O)NC1CC2(CCN(C(=O)CCN3CCN(C(C)C)CC3)CC2)C1
InChIInChI=1S/C22H40N4O2/c1-17(2)21(28)23-19-15-22(16-19)6-9-26(10-7-22)20(27)5-8-24-11-13-25(14-12-24)18(3)4/h17-19H,5-16H2,1-4H3,(H,23,28)
InChIKeyIXOHKQKVKRDLJF-UHFFFAOYSA-N
MW392.59 g/mol
LogP1.95
Rot. Bonds6

About 2-methyl-N-[7-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-7-azaspiro[3.5]nonan-2-yl]propanamide

2-methyl-N-[7-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-7-azaspiro[3.5]nonan-2-yl]propanamide (PubChem CID 154670547) has the molecular formula C22H40N4O2 and a molecular weight of 392.59 g/mol. Its IUPAC name is 2-methyl-N-[7-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-7-azaspiro[3.5]nonan-2-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[7-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-7-azaspiro[3.5]nonan-2-yl]propanamide
PubChem CID154670547
Molecular FormulaC22H40N4O2
Molecular Weight392.59 g/mol
Exact Mass392.32
IUPAC Name2-methyl-N-[7-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-7-azaspiro[3.5]nonan-2-yl]propanamide
SMILESCC(C)C(=O)NC1CC2(CCN(C(=O)CCN3CCN(C(C)C)CC3)CC2)C1
InChIInChI=1S/C22H40N4O2/c1-17(2)21(28)23-19-15-22(16-19)6-9-26(10-7-22)20(27)5-8-24-11-13-25(14-12-24)18(3)4/h17-19H,5-16H2,1-4H3,(H,23,28)
InChIKeyIXOHKQKVKRDLJF-UHFFFAOYSA-N
XLogP1.95
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.59
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[7-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-7-azaspiro[3.5]nonan-2-yl]propanamide?
The IUPAC name of 2-methyl-N-[7-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-7-azaspiro[3.5]nonan-2-yl]propanamide (CID 154670547) is 2-methyl-N-[7-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-7-azaspiro[3.5]nonan-2-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[7-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-7-azaspiro[3.5]nonan-2-yl]propanamide?
The canonical SMILES for 2-methyl-N-[7-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-7-azaspiro[3.5]nonan-2-yl]propanamide is CC(C)C(=O)NC1CC2(CCN(C(=O)CCN3CCN(C(C)C)CC3)CC2)C1.
What is the InChIKey of 2-methyl-N-[7-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-7-azaspiro[3.5]nonan-2-yl]propanamide?
The InChIKey is IXOHKQKVKRDLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40N4O2/c1-17(2)21(28)23-19-15-22(16-19)6-9-26(10-7-22)20(27)5-8-24-11-13-25(14-12-24)18(3)4/h17-19H,5-16H2,1-4H3,(H,23,28).
What are the key properties of 2-methyl-N-[7-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-7-azaspiro[3.5]nonan-2-yl]propanamide?
2-methyl-N-[7-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-7-azaspiro[3.5]nonan-2-yl]propanamide has a molecular weight of 392.59 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[7-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-7-azaspiro[3.5]nonan-2-yl]propanamide is sourced from PubChem (CID 154670547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).