(5R)-7-(cyclobutylmethyl)-2-[2-(1-methylpyrazol-4-yl)ethyl]-2,7-diazaspiro[4.5]decan-6-one

C19H30N4O — CID 97147308

IUPAC(5R)-7-(cyclobutylmethyl)-2-[2-(1-methylpyrazol-4-yl)ethyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCn1cc(CCN2CC[C@]3(CCCN(CC4CCC4)C3=O)C2)cn1
InChIInChI=1S/C19H30N4O/c1-21-13-17(12-20-21)6-10-22-11-8-19(15-22)7-3-9-23(18(19)24)14-16-4-2-5-16/h12-13,16H,2-11,14-15H2,1H3/t19-/m1/s1
InChIKeyWXCXBXKEGZVFQD-LJQANCHMSA-N
MW330.48 g/mol
LogP2.08
Rot. Bonds5

About (5R)-7-(cyclobutylmethyl)-2-[2-(1-methylpyrazol-4-yl)ethyl]-2,7-diazaspiro[4.5]decan-6-one

(5R)-7-(cyclobutylmethyl)-2-[2-(1-methylpyrazol-4-yl)ethyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97147308) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is (5R)-7-(cyclobutylmethyl)-2-[2-(1-methylpyrazol-4-yl)ethyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5R)-7-(cyclobutylmethyl)-2-[2-(1-methylpyrazol-4-yl)ethyl]-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97147308
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC Name(5R)-7-(cyclobutylmethyl)-2-[2-(1-methylpyrazol-4-yl)ethyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCn1cc(CCN2CC[C@]3(CCCN(CC4CCC4)C3=O)C2)cn1
InChIInChI=1S/C19H30N4O/c1-21-13-17(12-20-21)6-10-22-11-8-19(15-22)7-3-9-23(18(19)24)14-16-4-2-5-16/h12-13,16H,2-11,14-15H2,1H3/t19-/m1/s1
InChIKeyWXCXBXKEGZVFQD-LJQANCHMSA-N
XLogP2.08
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5R)-7-(cyclobutylmethyl)-2-[3-(1-methylpyrazol-4-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 26404662
7-(cyclobutylmethyl)-2-[[6-(dimethylamino)-3-pyridinyl]methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72871193
(5S)-9-(cyclopropylmethyl)-2-(1-methylpyrazol-4-yl)-2,9-diazaspiro[4.5]decan-1-one
CID 97372070
(5R)-7-(cyclopropylmethyl)-2-(3-methylsulfanylpropyl)-2,7-diazaspiro[4.5]decan-6-one
CID 26405993
7-(cyclobutylmethyl)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72844843
(5R)-7-(cyclobutylmethyl)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97142207
(5R)-7-(cyclopropylmethyl)-2-[(1-methylimidazol-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 26401866
(5R)-2-[2-(benzimidazol-1-yl)ethyl]-7-(cyclobutylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97123465
(5S)-7-(cyclobutylmethyl)-2-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97141091
(5S)-7-(cyclobutylmethyl)-2-(1-methylpiperidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 25313167
7-(cyclopropylmethyl)-2-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72891380
2-[7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-N-cyclohexyl-N-methylacetamide
CID 72866271

Frequently Asked Questions

What is the IUPAC name of (5R)-7-(cyclobutylmethyl)-2-[2-(1-methylpyrazol-4-yl)ethyl]-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5R)-7-(cyclobutylmethyl)-2-[2-(1-methylpyrazol-4-yl)ethyl]-2,7-diazaspiro[4.5]decan-6-one (CID 97147308) is (5R)-7-(cyclobutylmethyl)-2-[2-(1-methylpyrazol-4-yl)ethyl]-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5R)-7-(cyclobutylmethyl)-2-[2-(1-methylpyrazol-4-yl)ethyl]-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5R)-7-(cyclobutylmethyl)-2-[2-(1-methylpyrazol-4-yl)ethyl]-2,7-diazaspiro[4.5]decan-6-one is Cn1cc(CCN2CC[C@]3(CCCN(CC4CCC4)C3=O)C2)cn1.
What is the InChIKey of (5R)-7-(cyclobutylmethyl)-2-[2-(1-methylpyrazol-4-yl)ethyl]-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is WXCXBXKEGZVFQD-LJQANCHMSA-N. The full InChI is InChI=1S/C19H30N4O/c1-21-13-17(12-20-21)6-10-22-11-8-19(15-22)7-3-9-23(18(19)24)14-16-4-2-5-16/h12-13,16H,2-11,14-15H2,1H3/t19-/m1/s1.
What are the key properties of (5R)-7-(cyclobutylmethyl)-2-[2-(1-methylpyrazol-4-yl)ethyl]-2,7-diazaspiro[4.5]decan-6-one?
(5R)-7-(cyclobutylmethyl)-2-[2-(1-methylpyrazol-4-yl)ethyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 330.48 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-7-(cyclobutylmethyl)-2-[2-(1-methylpyrazol-4-yl)ethyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97147308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).