(5S)-7-cyclohexyl-2-[[6-(dimethylamino)-3-pyridinyl]methyl]-2,7-diazaspiro[4.5]decan-6-one

C22H34N4O — CID 97122565

IUPAC(5S)-7-cyclohexyl-2-[[6-(dimethylamino)-3-pyridinyl]methyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCN(C)c1ccc(CN2CC[C@@]3(CCCN(C4CCCCC4)C3=O)C2)cn1
InChIInChI=1S/C22H34N4O/c1-24(2)20-10-9-18(15-23-20)16-25-14-12-22(17-25)11-6-13-26(21(22)27)19-7-4-3-5-8-19/h9-10,15,19H,3-8,11-14,16-17H2,1-2H3/t22-/m0/s1
InChIKeyXNCZLJCNGLKNFU-QFIPXVFZSA-N
MW370.54 g/mol
LogP3.29
Rot. Bonds4

About (5S)-7-cyclohexyl-2-[[6-(dimethylamino)-3-pyridinyl]methyl]-2,7-diazaspiro[4.5]decan-6-one

(5S)-7-cyclohexyl-2-[[6-(dimethylamino)-3-pyridinyl]methyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97122565) has the molecular formula C22H34N4O and a molecular weight of 370.54 g/mol. Its IUPAC name is (5S)-7-cyclohexyl-2-[[6-(dimethylamino)-3-pyridinyl]methyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5S)-7-cyclohexyl-2-[[6-(dimethylamino)-3-pyridinyl]methyl]-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97122565
Molecular FormulaC22H34N4O
Molecular Weight370.54 g/mol
Exact Mass370.27
IUPAC Name(5S)-7-cyclohexyl-2-[[6-(dimethylamino)-3-pyridinyl]methyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCN(C)c1ccc(CN2CC[C@@]3(CCCN(C4CCCCC4)C3=O)C2)cn1
InChIInChI=1S/C22H34N4O/c1-24(2)20-10-9-18(15-23-20)16-25-14-12-22(17-25)11-6-13-26(21(22)27)19-7-4-3-5-8-19/h9-10,15,19H,3-8,11-14,16-17H2,1-2H3/t22-/m0/s1
InChIKeyXNCZLJCNGLKNFU-QFIPXVFZSA-N
XLogP3.29
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-7-cyclohexyl-2-[[6-(dimethylamino)-3-pyridinyl]methyl]-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5S)-7-cyclohexyl-2-[[6-(dimethylamino)-3-pyridinyl]methyl]-2,7-diazaspiro[4.5]decan-6-one (CID 97122565) is (5S)-7-cyclohexyl-2-[[6-(dimethylamino)-3-pyridinyl]methyl]-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5S)-7-cyclohexyl-2-[[6-(dimethylamino)-3-pyridinyl]methyl]-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5S)-7-cyclohexyl-2-[[6-(dimethylamino)-3-pyridinyl]methyl]-2,7-diazaspiro[4.5]decan-6-one is CN(C)c1ccc(CN2CC[C@@]3(CCCN(C4CCCCC4)C3=O)C2)cn1.
What is the InChIKey of (5S)-7-cyclohexyl-2-[[6-(dimethylamino)-3-pyridinyl]methyl]-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is XNCZLJCNGLKNFU-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H34N4O/c1-24(2)20-10-9-18(15-23-20)16-25-14-12-22(17-25)11-6-13-26(21(22)27)19-7-4-3-5-8-19/h9-10,15,19H,3-8,11-14,16-17H2,1-2H3/t22-/m0/s1.
What are the key properties of (5S)-7-cyclohexyl-2-[[6-(dimethylamino)-3-pyridinyl]methyl]-2,7-diazaspiro[4.5]decan-6-one?
(5S)-7-cyclohexyl-2-[[6-(dimethylamino)-3-pyridinyl]methyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 370.54 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-cyclohexyl-2-[[6-(dimethylamino)-3-pyridinyl]methyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97122565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).