(6S)-1-methyl-8-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[5.5]undecan-2-one

C15H24N4O — CID 97373220

IUPAC(6S)-1-methyl-8-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[5.5]undecan-2-one
SMILESCN1C(=O)CCC[C@@]12CCCN(Cc1cnn(C)c1)C2
InChIInChI=1S/C15H24N4O/c1-17-10-13(9-16-17)11-19-8-4-7-15(12-19)6-3-5-14(20)18(15)2/h9-10H,3-8,11-12H2,1-2H3/t15-/m0/s1
InChIKeyJDBFWLALNHPJDF-HNNXBMFYSA-N
MW276.38 g/mol
LogP1.40
Rot. Bonds2

About (6S)-1-methyl-8-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[5.5]undecan-2-one

(6S)-1-methyl-8-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[5.5]undecan-2-one (PubChem CID 97373220) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is (6S)-1-methyl-8-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[5.5]undecan-2-one.

Molecular Properties

Compound Name(6S)-1-methyl-8-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[5.5]undecan-2-one
PubChem CID97373220
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name(6S)-1-methyl-8-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[5.5]undecan-2-one
SMILESCN1C(=O)CCC[C@@]12CCCN(Cc1cnn(C)c1)C2
InChIInChI=1S/C15H24N4O/c1-17-10-13(9-16-17)11-19-8-4-7-15(12-19)6-3-5-14(20)18(15)2/h9-10H,3-8,11-12H2,1-2H3/t15-/m0/s1
InChIKeyJDBFWLALNHPJDF-HNNXBMFYSA-N
XLogP1.40
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-9-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonyl-1,9-diazaspiro[4.5]decane
CID 97482164
(6R)-8-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonyl-1,8-diazaspiro[5.5]undecane
CID 97370808
(6R)-1-methyl-8-[(5-methylfuran-2-yl)methyl]-1,8-diazaspiro[5.5]undecan-2-one
CID 97373223
9-[(1-methylpyrazol-4-yl)methyl]-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 131645106
(3R)-N,N,3-trimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 95815538
(3S)-N,N,3-trimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 95815537
1-methyl-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
CID 134078825
(5R)-9-[(1-methylpyrazol-4-yl)methyl]-2-phenyl-2,9-diazaspiro[4.5]decan-1-one
CID 97490258
2-ethyl-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 98895009
2-cyclopropylsulfonyl-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane
CID 131649452
3,3-diethyl-1-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepane
CID 64870349
4-[[3-(bromomethyl)-3-methylpyrrolidin-1-yl]methyl]-1-methylpyrazole
CID 130920691

Frequently Asked Questions

What is the IUPAC name of (6S)-1-methyl-8-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[5.5]undecan-2-one?
The IUPAC name of (6S)-1-methyl-8-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[5.5]undecan-2-one (CID 97373220) is (6S)-1-methyl-8-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[5.5]undecan-2-one.
What is the SMILES notation for (6S)-1-methyl-8-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[5.5]undecan-2-one?
The canonical SMILES for (6S)-1-methyl-8-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[5.5]undecan-2-one is CN1C(=O)CCC[C@@]12CCCN(Cc1cnn(C)c1)C2.
What is the InChIKey of (6S)-1-methyl-8-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[5.5]undecan-2-one?
The InChIKey is JDBFWLALNHPJDF-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-17-10-13(9-16-17)11-19-8-4-7-15(12-19)6-3-5-14(20)18(15)2/h9-10H,3-8,11-12H2,1-2H3/t15-/m0/s1.
What are the key properties of (6S)-1-methyl-8-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[5.5]undecan-2-one?
(6S)-1-methyl-8-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[5.5]undecan-2-one has a molecular weight of 276.38 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-1-methyl-8-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[5.5]undecan-2-one is sourced from PubChem (CID 97373220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).