3-[4-[6-(9-cyclobutyl-3,9-diazaspiro[5.5]undecan-3-yl)-3-pyridinyl]piperazin-1-yl]-N,N-dimethylpropan-1-amine

C27H46N6 — CID 59818817

IUPAC3-[4-[6-(9-cyclobutyl-3,9-diazaspiro[5.5]undecan-3-yl)-3-pyridinyl]piperazin-1-yl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCN1CCN(c2ccc(N3CCC4(CC3)CCN(C3CCC3)CC4)nc2)CC1
InChIInChI=1S/C27H46N6/c1-29(2)13-4-14-30-19-21-32(22-20-30)25-7-8-26(28-23-25)33-17-11-27(12-18-33)9-15-31(16-10-27)24-5-3-6-24/h7-8,23-24H,3-6,9-22H2,1-2H3
InChIKeyZXUQJUZHRWGDEC-UHFFFAOYSA-N
MW454.71 g/mol
LogP3.39
Rot. Bonds7

About 3-[4-[6-(9-cyclobutyl-3,9-diazaspiro[5.5]undecan-3-yl)-3-pyridinyl]piperazin-1-yl]-N,N-dimethylpropan-1-amine

3-[4-[6-(9-cyclobutyl-3,9-diazaspiro[5.5]undecan-3-yl)-3-pyridinyl]piperazin-1-yl]-N,N-dimethylpropan-1-amine (PubChem CID 59818817) has the molecular formula C27H46N6 and a molecular weight of 454.71 g/mol. Its IUPAC name is 3-[4-[6-(9-cyclobutyl-3,9-diazaspiro[5.5]undecan-3-yl)-3-pyridinyl]piperazin-1-yl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[4-[6-(9-cyclobutyl-3,9-diazaspiro[5.5]undecan-3-yl)-3-pyridinyl]piperazin-1-yl]-N,N-dimethylpropan-1-amine
PubChem CID59818817
Molecular FormulaC27H46N6
Molecular Weight454.71 g/mol
Exact Mass454.38
IUPAC Name3-[4-[6-(9-cyclobutyl-3,9-diazaspiro[5.5]undecan-3-yl)-3-pyridinyl]piperazin-1-yl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCN1CCN(c2ccc(N3CCC4(CC3)CCN(C3CCC3)CC4)nc2)CC1
InChIInChI=1S/C27H46N6/c1-29(2)13-4-14-30-19-21-32(22-20-30)25-7-8-26(28-23-25)33-17-11-27(12-18-33)9-15-31(16-10-27)24-5-3-6-24/h7-8,23-24H,3-6,9-22H2,1-2H3
InChIKeyZXUQJUZHRWGDEC-UHFFFAOYSA-N
XLogP3.39
TPSA29.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.71
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[6-(9-cyclobutyl-3,9-diazaspiro[5.5]undecan-3-yl)-3-pyridinyl]piperazin-1-yl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[4-[6-(9-cyclobutyl-3,9-diazaspiro[5.5]undecan-3-yl)-3-pyridinyl]piperazin-1-yl]-N,N-dimethylpropan-1-amine (CID 59818817) is 3-[4-[6-(9-cyclobutyl-3,9-diazaspiro[5.5]undecan-3-yl)-3-pyridinyl]piperazin-1-yl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[4-[6-(9-cyclobutyl-3,9-diazaspiro[5.5]undecan-3-yl)-3-pyridinyl]piperazin-1-yl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[4-[6-(9-cyclobutyl-3,9-diazaspiro[5.5]undecan-3-yl)-3-pyridinyl]piperazin-1-yl]-N,N-dimethylpropan-1-amine is CN(C)CCCN1CCN(c2ccc(N3CCC4(CC3)CCN(C3CCC3)CC4)nc2)CC1.
What is the InChIKey of 3-[4-[6-(9-cyclobutyl-3,9-diazaspiro[5.5]undecan-3-yl)-3-pyridinyl]piperazin-1-yl]-N,N-dimethylpropan-1-amine?
The InChIKey is ZXUQJUZHRWGDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H46N6/c1-29(2)13-4-14-30-19-21-32(22-20-30)25-7-8-26(28-23-25)33-17-11-27(12-18-33)9-15-31(16-10-27)24-5-3-6-24/h7-8,23-24H,3-6,9-22H2,1-2H3.
What are the key properties of 3-[4-[6-(9-cyclobutyl-3,9-diazaspiro[5.5]undecan-3-yl)-3-pyridinyl]piperazin-1-yl]-N,N-dimethylpropan-1-amine?
3-[4-[6-(9-cyclobutyl-3,9-diazaspiro[5.5]undecan-3-yl)-3-pyridinyl]piperazin-1-yl]-N,N-dimethylpropan-1-amine has a molecular weight of 454.71 g/mol, XLogP of 3.39, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[6-(9-cyclobutyl-3,9-diazaspiro[5.5]undecan-3-yl)-3-pyridinyl]piperazin-1-yl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 59818817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).