(3S)-1-(2-methoxyethyl)-8-[(1-methylpyrazol-4-yl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one

C22H30N4O2 — CID 97383971

IUPAC(3S)-1-(2-methoxyethyl)-8-[(1-methylpyrazol-4-yl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
SMILESCOCCN1C(=O)[C@H](c2ccccc2)CC12CCN(Cc1cnn(C)c1)CC2
InChIInChI=1S/C22H30N4O2/c1-24-16-18(15-23-24)17-25-10-8-22(9-11-25)14-20(19-6-4-3-5-7-19)21(27)26(22)12-13-28-2/h3-7,15-16,20H,8-14,17H2,1-2H3/t20-/m0/s1
InChIKeyZVKYYFANYCOBQJ-FQEVSTJZSA-N
MW382.51 g/mol
LogP2.42
Rot. Bonds6

About (3S)-1-(2-methoxyethyl)-8-[(1-methylpyrazol-4-yl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one

(3S)-1-(2-methoxyethyl)-8-[(1-methylpyrazol-4-yl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 97383971) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is (3S)-1-(2-methoxyethyl)-8-[(1-methylpyrazol-4-yl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(3S)-1-(2-methoxyethyl)-8-[(1-methylpyrazol-4-yl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
PubChem CID97383971
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name(3S)-1-(2-methoxyethyl)-8-[(1-methylpyrazol-4-yl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
SMILESCOCCN1C(=O)[C@H](c2ccccc2)CC12CCN(Cc1cnn(C)c1)CC2
InChIInChI=1S/C22H30N4O2/c1-24-16-18(15-23-24)17-25-10-8-22(9-11-25)14-20(19-6-4-3-5-7-19)21(27)26(22)12-13-28-2/h3-7,15-16,20H,8-14,17H2,1-2H3/t20-/m0/s1
InChIKeyZVKYYFANYCOBQJ-FQEVSTJZSA-N
XLogP2.42
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-(2-methoxyethyl)-8-[(4-methoxyphenyl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97383981
(3R)-1-(2-methoxyethyl)-3-phenyl-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97383969
(3R)-1-(2-methoxyethyl)-3-phenyl-8-(pyridin-2-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97383983
1-(2-methoxyethyl)-3-phenyl-8-(1,3-thiazol-2-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 131653748
1-(2-methoxyethyl)-8-[(5-methylthiophen-2-yl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 131643872
(3S)-8-(furan-2-carbonyl)-1-(2-methoxyethyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97383988
(3R)-1-(2-methoxyethyl)-3-phenyl-8-(thiophene-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97383991
8-[(2-ethylpyrimidin-5-yl)methyl]-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 72894428
(3S)-8-[(1-ethylpyrazol-4-yl)methyl]-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decane
CID 97274872
2-(2-methoxyethyl)-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.6]undecan-1-one;2,2,2-trifluoroacetic acid
CID 155831325
(5R)-3-ethyl-13-(2-methoxyethyl)-9-[(1-methylpyrazol-4-yl)methyl]-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one
CID 97360452
(3S)-8-[(1-methylpyrazol-4-yl)methyl]-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97469527

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-methoxyethyl)-8-[(1-methylpyrazol-4-yl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of (3S)-1-(2-methoxyethyl)-8-[(1-methylpyrazol-4-yl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one (CID 97383971) is (3S)-1-(2-methoxyethyl)-8-[(1-methylpyrazol-4-yl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (3S)-1-(2-methoxyethyl)-8-[(1-methylpyrazol-4-yl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (3S)-1-(2-methoxyethyl)-8-[(1-methylpyrazol-4-yl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one is COCCN1C(=O)[C@H](c2ccccc2)CC12CCN(Cc1cnn(C)c1)CC2.
What is the InChIKey of (3S)-1-(2-methoxyethyl)-8-[(1-methylpyrazol-4-yl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is ZVKYYFANYCOBQJ-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-24-16-18(15-23-24)17-25-10-8-22(9-11-25)14-20(19-6-4-3-5-7-19)21(27)26(22)12-13-28-2/h3-7,15-16,20H,8-14,17H2,1-2H3/t20-/m0/s1.
What are the key properties of (3S)-1-(2-methoxyethyl)-8-[(1-methylpyrazol-4-yl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
(3S)-1-(2-methoxyethyl)-8-[(1-methylpyrazol-4-yl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 382.51 g/mol, XLogP of 2.42, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-methoxyethyl)-8-[(1-methylpyrazol-4-yl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97383971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).