2-[1-[2-(1-methylpiperidin-4-yl)acetyl]piperidin-4-yl]-1-phenyl-2-azaspiro[3.5]nonan-3-one

C27H39N3O2 — CID 146072042

IUPAC2-[1-[2-(1-methylpiperidin-4-yl)acetyl]piperidin-4-yl]-1-phenyl-2-azaspiro[3.5]nonan-3-one
SMILESCN1CCC(CC(=O)N2CCC(N3C(=O)C4(CCCCC4)C3c3ccccc3)CC2)CC1
InChIInChI=1S/C27H39N3O2/c1-28-16-10-21(11-17-28)20-24(31)29-18-12-23(13-19-29)30-25(22-8-4-2-5-9-22)27(26(30)32)14-6-3-7-15-27/h2,4-5,8-9,21,23,25H,3,6-7,10-20H2,1H3
InChIKeyZZZCFPGSFCWJMJ-UHFFFAOYSA-N
MW437.63 g/mol
LogP4.24
Rot. Bonds4

About 2-[1-[2-(1-methylpiperidin-4-yl)acetyl]piperidin-4-yl]-1-phenyl-2-azaspiro[3.5]nonan-3-one

2-[1-[2-(1-methylpiperidin-4-yl)acetyl]piperidin-4-yl]-1-phenyl-2-azaspiro[3.5]nonan-3-one (PubChem CID 146072042) has the molecular formula C27H39N3O2 and a molecular weight of 437.63 g/mol. Its IUPAC name is 2-[1-[2-(1-methylpiperidin-4-yl)acetyl]piperidin-4-yl]-1-phenyl-2-azaspiro[3.5]nonan-3-one.

Molecular Properties

Compound Name2-[1-[2-(1-methylpiperidin-4-yl)acetyl]piperidin-4-yl]-1-phenyl-2-azaspiro[3.5]nonan-3-one
PubChem CID146072042
Molecular FormulaC27H39N3O2
Molecular Weight437.63 g/mol
Exact Mass437.30
IUPAC Name2-[1-[2-(1-methylpiperidin-4-yl)acetyl]piperidin-4-yl]-1-phenyl-2-azaspiro[3.5]nonan-3-one
SMILESCN1CCC(CC(=O)N2CCC(N3C(=O)C4(CCCCC4)C3c3ccccc3)CC2)CC1
InChIInChI=1S/C27H39N3O2/c1-28-16-10-21(11-17-28)20-24(31)29-18-12-23(13-19-29)30-25(22-8-4-2-5-9-22)27(26(30)32)14-6-3-7-15-27/h2,4-5,8-9,21,23,25H,3,6-7,10-20H2,1H3
InChIKeyZZZCFPGSFCWJMJ-UHFFFAOYSA-N
XLogP4.24
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.63
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(1-methylpiperidin-4-yl)acetyl]piperidin-4-yl]-1-phenyl-2-azaspiro[3.5]nonan-3-one?
The IUPAC name of 2-[1-[2-(1-methylpiperidin-4-yl)acetyl]piperidin-4-yl]-1-phenyl-2-azaspiro[3.5]nonan-3-one (CID 146072042) is 2-[1-[2-(1-methylpiperidin-4-yl)acetyl]piperidin-4-yl]-1-phenyl-2-azaspiro[3.5]nonan-3-one.
What is the SMILES notation for 2-[1-[2-(1-methylpiperidin-4-yl)acetyl]piperidin-4-yl]-1-phenyl-2-azaspiro[3.5]nonan-3-one?
The canonical SMILES for 2-[1-[2-(1-methylpiperidin-4-yl)acetyl]piperidin-4-yl]-1-phenyl-2-azaspiro[3.5]nonan-3-one is CN1CCC(CC(=O)N2CCC(N3C(=O)C4(CCCCC4)C3c3ccccc3)CC2)CC1.
What is the InChIKey of 2-[1-[2-(1-methylpiperidin-4-yl)acetyl]piperidin-4-yl]-1-phenyl-2-azaspiro[3.5]nonan-3-one?
The InChIKey is ZZZCFPGSFCWJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39N3O2/c1-28-16-10-21(11-17-28)20-24(31)29-18-12-23(13-19-29)30-25(22-8-4-2-5-9-22)27(26(30)32)14-6-3-7-15-27/h2,4-5,8-9,21,23,25H,3,6-7,10-20H2,1H3.
What are the key properties of 2-[1-[2-(1-methylpiperidin-4-yl)acetyl]piperidin-4-yl]-1-phenyl-2-azaspiro[3.5]nonan-3-one?
2-[1-[2-(1-methylpiperidin-4-yl)acetyl]piperidin-4-yl]-1-phenyl-2-azaspiro[3.5]nonan-3-one has a molecular weight of 437.63 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(1-methylpiperidin-4-yl)acetyl]piperidin-4-yl]-1-phenyl-2-azaspiro[3.5]nonan-3-one is sourced from PubChem (CID 146072042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).