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

C16H24N4O — CID 97151956

IUPAC(5S)-2-[[6-(dimethylamino)-3-pyridinyl]methyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCN(C)c1ccc(CN2CC[C@@]3(CCCNC3=O)C2)cn1
InChIInChI=1S/C16H24N4O/c1-19(2)14-5-4-13(10-18-14)11-20-9-7-16(12-20)6-3-8-17-15(16)21/h4-5,10H,3,6-9,11-12H2,1-2H3,(H,17,21)/t16-/m0/s1
InChIKeyPCMNPOGHGDRWGE-INIZCTEOSA-N
MW288.40 g/mol
LogP1.25
Rot. Bonds3

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

(5S)-2-[[6-(dimethylamino)-3-pyridinyl]methyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97151956) has the molecular formula C16H24N4O and a molecular weight of 288.40 g/mol. Its IUPAC name is (5S)-2-[[6-(dimethylamino)-3-pyridinyl]methyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5S)-2-[[6-(dimethylamino)-3-pyridinyl]methyl]-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97151956
Molecular FormulaC16H24N4O
Molecular Weight288.40 g/mol
Exact Mass288.20
IUPAC Name(5S)-2-[[6-(dimethylamino)-3-pyridinyl]methyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCN(C)c1ccc(CN2CC[C@@]3(CCCNC3=O)C2)cn1
InChIInChI=1S/C16H24N4O/c1-19(2)14-5-4-13(10-18-14)11-20-9-7-16(12-20)6-3-8-17-15(16)21/h4-5,10H,3,6-9,11-12H2,1-2H3,(H,17,21)/t16-/m0/s1
InChIKeyPCMNPOGHGDRWGE-INIZCTEOSA-N
XLogP1.25
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-7-cyclohexyl-2-[[6-(dimethylamino)-3-pyridinyl]methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97122565
7-(cyclobutylmethyl)-2-[[6-(dimethylamino)-3-pyridinyl]methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72871193
9-[(4-chlorophenyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one
CID 95853385
(4S)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]-3,3,4-trimethylpiperidin-4-ol
CID 72935923
(3R)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-ethylpiperidine-3-carboxylic acid
CID 97123703
9-benzyl-2,9-diazaspiro[5.5]undecan-1-one
CID 118960394
1-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-methyl-1,4-diazepan-5-one
CID 77082192
[(3S)-3-(cyclopropylmethyl)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-3-yl]methanol
CID 97122738
1-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-phenylpiperidine-4-carbonitrile
CID 77083519
1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-4-ol
CID 145197805
9-[(1-methylimidazol-2-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one
CID 131655738
(6S)-4-[[6-(dimethylamino)-3-pyridinyl]methyl]-1-methyl-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97116135

Frequently Asked Questions

What is the IUPAC name of (5S)-2-[[6-(dimethylamino)-3-pyridinyl]methyl]-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5S)-2-[[6-(dimethylamino)-3-pyridinyl]methyl]-2,7-diazaspiro[4.5]decan-6-one (CID 97151956) is (5S)-2-[[6-(dimethylamino)-3-pyridinyl]methyl]-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5S)-2-[[6-(dimethylamino)-3-pyridinyl]methyl]-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5S)-2-[[6-(dimethylamino)-3-pyridinyl]methyl]-2,7-diazaspiro[4.5]decan-6-one is CN(C)c1ccc(CN2CC[C@@]3(CCCNC3=O)C2)cn1.
What is the InChIKey of (5S)-2-[[6-(dimethylamino)-3-pyridinyl]methyl]-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is PCMNPOGHGDRWGE-INIZCTEOSA-N. The full InChI is InChI=1S/C16H24N4O/c1-19(2)14-5-4-13(10-18-14)11-20-9-7-16(12-20)6-3-8-17-15(16)21/h4-5,10H,3,6-9,11-12H2,1-2H3,(H,17,21)/t16-/m0/s1.
What are the key properties of (5S)-2-[[6-(dimethylamino)-3-pyridinyl]methyl]-2,7-diazaspiro[4.5]decan-6-one?
(5S)-2-[[6-(dimethylamino)-3-pyridinyl]methyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 288.40 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-[[6-(dimethylamino)-3-pyridinyl]methyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97151956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).