2-[(3R)-2,3-dibenzyl-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide

C29H35N5O2 — CID 129459645

IUPAC2-[(3R)-2,3-dibenzyl-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
SMILESCc1n[nH]c(C)c1NC(=O)CN1CCC2(CC1)C[C@@H](Cc1ccccc1)N(Cc1ccccc1)C2=O
InChIInChI=1S/C29H35N5O2/c1-21-27(22(2)32-31-21)30-26(35)20-33-15-13-29(14-16-33)18-25(17-23-9-5-3-6-10-23)34(28(29)36)19-24-11-7-4-8-12-24/h3-12,25H,13-20H2,1-2H3,(H,30,35)(H,31,32)/t25-/m1/s1
InChIKeyYGYBEKAFUGTFIH-RUZDIDTESA-N
MW485.63 g/mol
LogP4.09
Rot. Bonds7

About 2-[(3R)-2,3-dibenzyl-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide

2-[(3R)-2,3-dibenzyl-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide (PubChem CID 129459645) has the molecular formula C29H35N5O2 and a molecular weight of 485.63 g/mol. Its IUPAC name is 2-[(3R)-2,3-dibenzyl-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-[(3R)-2,3-dibenzyl-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
PubChem CID129459645
Molecular FormulaC29H35N5O2
Molecular Weight485.63 g/mol
Exact Mass485.28
IUPAC Name2-[(3R)-2,3-dibenzyl-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
SMILESCc1n[nH]c(C)c1NC(=O)CN1CCC2(CC1)C[C@@H](Cc1ccccc1)N(Cc1ccccc1)C2=O
InChIInChI=1S/C29H35N5O2/c1-21-27(22(2)32-31-21)30-26(35)20-33-15-13-29(14-16-33)18-25(17-23-9-5-3-6-10-23)34(28(29)36)19-24-11-7-4-8-12-24/h3-12,25H,13-20H2,1-2H3,(H,30,35)(H,31,32)/t25-/m1/s1
InChIKeyYGYBEKAFUGTFIH-RUZDIDTESA-N
XLogP4.09
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.63
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(3R)-3-[(4-fluorophenyl)methyl]-2-(2-methylpropyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]acetamide
CID 124946929
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[2-(2-phenylethyl)morpholin-4-yl]acetamide
CID 75504911
2-[1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]piperidin-4-yl]acetic acid
CID 79612221
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]acetamide
CID 63310116
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[3-(phenylsulfanylmethyl)pyrrolidin-1-yl]acetamide
CID 71988673
3-benzyl-8-(1-benzyl-4-methylpiperidine-4-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one
CID 175659156
1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63031207
(3S)-3-benzyl-2-methyl-8-(2-piperidin-1-ylacetyl)-2,8-diazaspiro[4.5]decan-1-one
CID 124974283
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-(2-methylcyclopropanecarbonyl)piperazin-1-yl]acetamide
CID 71988957
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2R)-2-(phenoxymethyl)pyrrolidin-1-yl]acetamide
CID 96540886
2-[1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]azetidin-3-yl]propanoic acid
CID 116683852
N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-phenylcyclopentane-1-carboxamide
CID 43546852

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-2,3-dibenzyl-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The IUPAC name of 2-[(3R)-2,3-dibenzyl-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide (CID 129459645) is 2-[(3R)-2,3-dibenzyl-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide.
What is the SMILES notation for 2-[(3R)-2,3-dibenzyl-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The canonical SMILES for 2-[(3R)-2,3-dibenzyl-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide is Cc1n[nH]c(C)c1NC(=O)CN1CCC2(CC1)C[C@@H](Cc1ccccc1)N(Cc1ccccc1)C2=O.
What is the InChIKey of 2-[(3R)-2,3-dibenzyl-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The InChIKey is YGYBEKAFUGTFIH-RUZDIDTESA-N. The full InChI is InChI=1S/C29H35N5O2/c1-21-27(22(2)32-31-21)30-26(35)20-33-15-13-29(14-16-33)18-25(17-23-9-5-3-6-10-23)34(28(29)36)19-24-11-7-4-8-12-24/h3-12,25H,13-20H2,1-2H3,(H,30,35)(H,31,32)/t25-/m1/s1.
What are the key properties of 2-[(3R)-2,3-dibenzyl-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
2-[(3R)-2,3-dibenzyl-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide has a molecular weight of 485.63 g/mol, XLogP of 4.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-2,3-dibenzyl-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide is sourced from PubChem (CID 129459645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).