(5-methyl-1H-pyrazol-4-yl)-[(5S)-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone

C22H30N4O — CID 42290294

IUPAC(5-methyl-1H-pyrazol-4-yl)-[(5S)-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
SMILESCc1[nH]ncc1C(=O)N1CC[C@]2(CCCN(CCCc3ccccc3)C2)C1
InChIInChI=1S/C22H30N4O/c1-18-20(15-23-24-18)21(27)26-14-11-22(17-26)10-6-13-25(16-22)12-5-9-19-7-3-2-4-8-19/h2-4,7-8,15H,5-6,9-14,16-17H2,1H3,(H,23,24)/t22-/m0/s1
InChIKeyYYRLXRFHYCCEKL-QFIPXVFZSA-N
MW366.51 g/mol
LogP3.28
Rot. Bonds5

About (5-methyl-1H-pyrazol-4-yl)-[(5S)-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone

(5-methyl-1H-pyrazol-4-yl)-[(5S)-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone (PubChem CID 42290294) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is (5-methyl-1H-pyrazol-4-yl)-[(5S)-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone.

Molecular Properties

Compound Name(5-methyl-1H-pyrazol-4-yl)-[(5S)-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
PubChem CID42290294
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name(5-methyl-1H-pyrazol-4-yl)-[(5S)-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
SMILESCc1[nH]ncc1C(=O)N1CC[C@]2(CCCN(CCCc3ccccc3)C2)C1
InChIInChI=1S/C22H30N4O/c1-18-20(15-23-24-18)21(27)26-14-11-22(17-26)10-6-13-25(16-22)12-5-9-19-7-3-2-4-8-19/h2-4,7-8,15H,5-6,9-14,16-17H2,1H3,(H,23,24)/t22-/m0/s1
InChIKeyYYRLXRFHYCCEKL-QFIPXVFZSA-N
XLogP3.28
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
CID 45209753
(5-methylpyrazin-2-yl)-[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 45199217
2-hydroxy-2-methyl-1-[9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]propan-1-one
CID 45226995
[9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-quinolin-3-ylmethanone
CID 45200874
[(5S)-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone
CID 42341584
[(6S)-8-benzyl-2,8-diazaspiro[5.5]undecan-2-yl]-(5-ethyl-1H-pyrazol-4-yl)methanone
CID 95869845
2-methyl-N-[2-oxo-2-[(5S)-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]ethyl]propanamide
CID 126426416
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(5R)-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]propan-1-one
CID 42508168
[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-pyridin-3-ylmethanone
CID 45195230
(E)-1-[(5R)-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-pyridin-4-ylprop-2-en-1-one
CID 25289959
(E)-1-[9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-pyridin-4-ylprop-2-en-1-one
CID 45207374
(2-methoxypyrimidin-5-yl)-[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 45195685

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1H-pyrazol-4-yl)-[(5S)-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone?
The IUPAC name of (5-methyl-1H-pyrazol-4-yl)-[(5S)-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone (CID 42290294) is (5-methyl-1H-pyrazol-4-yl)-[(5S)-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone.
What is the SMILES notation for (5-methyl-1H-pyrazol-4-yl)-[(5S)-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone?
The canonical SMILES for (5-methyl-1H-pyrazol-4-yl)-[(5S)-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone is Cc1[nH]ncc1C(=O)N1CC[C@]2(CCCN(CCCc3ccccc3)C2)C1.
What is the InChIKey of (5-methyl-1H-pyrazol-4-yl)-[(5S)-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone?
The InChIKey is YYRLXRFHYCCEKL-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H30N4O/c1-18-20(15-23-24-18)21(27)26-14-11-22(17-26)10-6-13-25(16-22)12-5-9-19-7-3-2-4-8-19/h2-4,7-8,15H,5-6,9-14,16-17H2,1H3,(H,23,24)/t22-/m0/s1.
What are the key properties of (5-methyl-1H-pyrazol-4-yl)-[(5S)-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone?
(5-methyl-1H-pyrazol-4-yl)-[(5S)-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone has a molecular weight of 366.51 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1H-pyrazol-4-yl)-[(5S)-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone is sourced from PubChem (CID 42290294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).